2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid

C21H35N5O10 — CID 67565761

IUPAC2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H9NO3.C3H7NO3.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)
InChIKeyBFMDQJIWZDIEJV-UHFFFAOYSA-N
MW517.54 g/mol
LogP-2.29
Rot. Bonds8

About 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid

2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid (PubChem CID 67565761) has the molecular formula C21H35N5O10 and a molecular weight of 517.54 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
PubChem CID67565761
Molecular FormulaC21H35N5O10
Molecular Weight517.54 g/mol
Exact Mass517.24
IUPAC Name2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H9NO3.C3H7NO3.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)
InChIKeyBFMDQJIWZDIEJV-UHFFFAOYSA-N
XLogP-2.29
TPSA309.53 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 5-2.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

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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
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
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
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid (CID 67565761) is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid is CC(N)C(=O)O.CC(O)C(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The InChIKey is BFMDQJIWZDIEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C4H9NO3.C3H7NO3.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid has a molecular weight of 517.54 g/mol, XLogP of -2.29, 8 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid is sourced from PubChem (CID 67565761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).