4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid

C7H14N2O4 — CID 107836163

IUPAC4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
SMILESC[C@H](N)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-2-5(10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m0/s1
InChIKeyMNYFCNVDUAXECR-ROLXFIACSA-N
MW190.20 g/mol
LogP-1.71
Rot. Bonds5

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

4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836163) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
PubChem CID107836163
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
SMILESC[C@H](N)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-2-5(10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m0/s1
InChIKeyMNYFCNVDUAXECR-ROLXFIACSA-N
XLogP-1.71
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
CID 107836180
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid (CID 107836163) is 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid is C[C@H](N)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is MNYFCNVDUAXECR-ROLXFIACSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(8)6(11)9-3-2-5(10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m0/s1.
What are the key properties of 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid?
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).