(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid

C7H14N2O4 — CID 80750694

IUPAC(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
SMILESCC[C@H](N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5+/m0/s1
InChIKeyWBEKMIFQCFWVBA-CRCLSJGQSA-N
MW190.20 g/mol
LogP-1.71
Rot. Bonds5

About (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80750694) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
PubChem CID80750694
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
SMILESCC[C@H](N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5+/m0/s1
InChIKeyWBEKMIFQCFWVBA-CRCLSJGQSA-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

Analyze (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoic acid;hydrochloride
CID 122235943
(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 145454699
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246522
2-[(2-amino-4-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 62475206
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 138911104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid (CID 80750694) is (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid is CC[C@H](N)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is WBEKMIFQCFWVBA-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)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 (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic 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 (2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).