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

C8H16N2O4 — CID 107825073

IUPAC(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
SMILESCC[C@@H](N)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-5(9)7(12)10-6(3-4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m1/s1
InChIKeyTZEQMHPKCYZRJE-PHDIDXHHSA-N
MW204.23 g/mol
LogP-1.32
Rot. Bonds6

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

(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107825073) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
PubChem CID107825073
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
SMILESCC[C@@H](N)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-5(9)7(12)10-6(3-4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m1/s1
InChIKeyTZEQMHPKCYZRJE-PHDIDXHHSA-N
XLogP-1.32
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107824859
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(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
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid (CID 107825073) is (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid is CC[C@@H](N)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is TZEQMHPKCYZRJE-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-5(9)7(12)10-6(3-4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).