2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid

C38H60N8O17 — CID 174969857

IUPAC2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid
SMILESCC(C)CC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12N2O2.C9H11NO3.C6H13NO2.C4H8N2O3.C4H7NO4.C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4(2)3-5(7)6(8)9;2*5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9);2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)
InChIKeyZJXHDMBACXBKGI-UHFFFAOYSA-N
MW900.94 g/mol
LogP-2.16
Rot. Bonds17

About 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid

2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid (PubChem CID 174969857) has the molecular formula C38H60N8O17 and a molecular weight of 900.94 g/mol. Its IUPAC name is 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid
PubChem CID174969857
Molecular FormulaC38H60N8O17
Molecular Weight900.94 g/mol
Exact Mass900.41
IUPAC Name2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid
SMILESCC(C)CC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12N2O2.C9H11NO3.C6H13NO2.C4H8N2O3.C4H7NO4.C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4(2)3-5(7)6(8)9;2*5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9);2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)
InChIKeyZJXHDMBACXBKGI-UHFFFAOYSA-N
XLogP-2.16
TPSA516.56 Ų
H-Bond Donors17
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.94
LogP ≤ 5-2.16
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1016

Analyze 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid with MolForge

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 158041613
bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;bis(2,4-diamino-4-oxobutanoic acid);2,5-diamino-5-oxopentanoic acid
CID 174382903
3-amino-3-(5-bromofuran-2-yl)propanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid
CID 174625241
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid;2,4-diamino-4-oxobutanoic acid
CID 174159961
4-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 19954317
(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 45139066
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 67565761
2-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18301588
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)
CID 175468651
2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 68987869
2-[[2-[[4-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
CID 19951162
2-[[4-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoic acid
CID 19949277

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid?
The IUPAC name of 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid (CID 174969857) is 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid is CC(C)CC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid?
The InChIKey is ZJXHDMBACXBKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C9H11NO3.C6H13NO2.C4H8N2O3.C4H7NO4.C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4(2)3-5(7)6(8)9;2*5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);4-5H,3,7H2,1-2H3,(H,8,9);2H,1,5H2,(H2,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid?
2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid has a molecular weight of 900.94 g/mol, XLogP of -2.16, 17 rotatable bonds, 17 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 174969857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).