(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid

C7H13N3O5 — CID 107825557

IUPAC(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESNC(=O)CNC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-5(12)3-9-7(15)10-4(1-2-11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1
InChIKeyYMTJETMVDBCZJT-BYPYZUCNSA-N
MW219.20 g/mol
LogP-2.39
Rot. Bonds6

About (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid

(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107825557) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID107825557
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESNC(=O)CNC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-5(12)3-9-7(15)10-4(1-2-11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1
InChIKeyYMTJETMVDBCZJT-BYPYZUCNSA-N
XLogP-2.39
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80751039
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307403
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 107823851
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid (CID 107825557) is (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid is NC(=O)CNC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YMTJETMVDBCZJT-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-5(12)3-9-7(15)10-4(1-2-11)6(13)14/h4,11H,1-3H2,(H2,8,12)(H,13,14)(H2,9,10,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid?
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 219.20 g/mol, XLogP of -2.39, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).