3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid

C8H16N2O4 — CID 107222531

IUPAC3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
SMILESCC[C@@H](CO)NC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-5(4-11)10-8(14)6(9)3-7(12)13/h5-6,11H,2-4,9H2,1H3,(H,10,14)(H,12,13)/t5-,6?/m0/s1
InChIKeyAYRBRHMTHRITHH-ZBHICJROSA-N
MW204.23 g/mol
LogP-1.32
Rot. Bonds6

About 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid

3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 107222531) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
PubChem CID107222531
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
SMILESCC[C@@H](CO)NC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-5(4-11)10-8(14)6(9)3-7(12)13/h5-6,11H,2-4,9H2,1H3,(H,10,14)(H,12,13)/t5-,6?/m0/s1
InChIKeyAYRBRHMTHRITHH-ZBHICJROSA-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

(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(3S)-3-amino-4-(6-hydroxyhexan-3-ylamino)-4-oxobutanoic acid
CID 87235312
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid (CID 107222531) is 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid is CC[C@@H](CO)NC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is AYRBRHMTHRITHH-ZBHICJROSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-5(4-11)10-8(14)6(9)3-7(12)13/h5-6,11H,2-4,9H2,1H3,(H,10,14)(H,12,13)/t5-,6?/m0/s1.
What are the key properties of 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid?
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic 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 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107222531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).