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

C7H14N2O4 — CID 78973168

IUPAC2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
SMILESC[C@@H](N)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-5(2-3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m1/s1
InChIKeyLPWIGILNYJAJSN-CNZKWPKMSA-N
MW190.20 g/mol
LogP-1.71
Rot. Bonds5

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

2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 78973168) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
PubChem CID78973168
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
SMILESC[C@@H](N)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(8)6(11)9-5(2-3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m1/s1
InChIKeyLPWIGILNYJAJSN-CNZKWPKMSA-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

(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-sulfanylbutanoic acid
CID 11148435
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243847
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid (CID 78973168) is 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid is C[C@@H](N)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is LPWIGILNYJAJSN-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(8)6(11)9-5(2-3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5?/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid?
2-[[(2R)-2-aminopropanoyl]amino]-4-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 2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 78973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).