(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid

C12H21N3O5 — CID 18605764

IUPAC(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
SMILESCCC(=O)N(C(=O)C(N)CC)[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C12H21N3O5/c1-3-7(13)12(20)15(9(16)4-2)8(11(14)19)5-6-10(17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyNARRYOHLXDGSCP-BRFYHDHCSA-N
MW287.32 g/mol
LogP-0.79
Rot. Bonds8

About (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid

(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid (PubChem CID 18605764) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
PubChem CID18605764
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid
SMILESCCC(=O)N(C(=O)C(N)CC)[C@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C12H21N3O5/c1-3-7(13)12(20)15(9(16)4-2)8(11(14)19)5-6-10(17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyNARRYOHLXDGSCP-BRFYHDHCSA-N
XLogP-0.79
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-diamino-5-oxooctanoic acid
CID 87431132
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
CID 79268327
3-[2-aminobutanoyl(tert-butyl)amino]propanoic acid
CID 61159547
2-[acetyl-(2-amino-3-carboxypropanoyl)amino]pentanedioic acid
CID 11989787
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
5-amino-2-[(2-aminoacetyl)-(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoic acid
CID 88729718
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioic acid
CID 175964949
(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
CID 18640660
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid (CID 18605764) is (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid is CCC(=O)N(C(=O)C(N)CC)[C@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid?
The InChIKey is NARRYOHLXDGSCP-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-7(13)12(20)15(9(16)4-2)8(11(14)19)5-6-10(17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,19)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid?
(4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[2-aminobutanoyl(propanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 18605764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).