2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid

C6H12N2O4 — CID 61244410

IUPAC2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
SMILESNCC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C6H12N2O4/c7-3-5(10)8-4(1-2-9)6(11)12/h4,9H,1-3,7H2,(H,8,10)(H,11,12)
InChIKeyFNVZKKVFPAYKQB-UHFFFAOYSA-N
MW176.17 g/mol
LogP-2.10
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid

2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid (PubChem CID 61244410) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
PubChem CID61244410
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
SMILESNCC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C6H12N2O4/c7-3-5(10)8-4(1-2-9)6(11)12/h4,9H,1-3,7H2,(H,8,10)(H,11,12)
InChIKeyFNVZKKVFPAYKQB-UHFFFAOYSA-N
XLogP-2.10
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145434364
2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18221139
(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
CID 166903453
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 107822678
(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395
(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
CID 107825179
2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18486799

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid (CID 61244410) is 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid is NCC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid?
The InChIKey is FNVZKKVFPAYKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-3-5(10)8-4(1-2-9)6(11)12/h4,9H,1-3,7H2,(H,8,10)(H,11,12).
What are the key properties of 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid?
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid has a molecular weight of 176.17 g/mol, XLogP of -2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).