4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid

C8H16N2O3 — CID 18609898

IUPAC4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid
SMILESCC[C@@H](NCCCC(=O)O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-6(8(9)13)10-5-3-4-7(11)12/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12)/t6-/m1/s1
InChIKeyJUODSNRKJOVATP-ZCFIWIBFSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds7

About 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid

4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid (PubChem CID 18609898) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid
PubChem CID18609898
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid
SMILESCC[C@@H](NCCCC(=O)O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-6(8(9)13)10-5-3-4-7(11)12/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12)/t6-/m1/s1
InChIKeyJUODSNRKJOVATP-ZCFIWIBFSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Glycylaminobutyric acid
CID 99281
Edba
CID 164632
N,N,N~2~-Triethyl-alpha-asparagine
CID 206736
3-((1-Carbamoylpropyl)carbamoyl)propanoic acid
CID 129850692
4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoic acid
CID 44332732
(3R)-3-amino-4-[[(3S)-hexan-3-yl]amino]-4-oxobutanoic acid
CID 44369349
(3R)-3-amino-4-oxo-4-[[(2S)-pentan-2-yl]amino]butanoic acid
CID 44369386
(3S)-3-acetamido-4-[[(1S)-1-carboxypropyl]amino]-4-oxobutanoic acid
CID 57394081
(3S)-3-amino-4-oxo-4-[[(2R)-pentan-2-yl]amino]butanoic acid
CID 70683061
(3S)-3-amino-4-oxo-4-[[(2S)-pentan-2-yl]amino]butanoic acid
CID 70697670
Asp-Ala-Ala
CID 9860356
N-methyl-dl-isoasparagine
CID 20683623

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid?
The IUPAC name of 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid (CID 18609898) is 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid?
The canonical SMILES for 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid is CC[C@@H](NCCCC(=O)O)C(N)=O.
What is the InChIKey of 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid?
The InChIKey is JUODSNRKJOVATP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-6(8(9)13)10-5-3-4-7(11)12/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12)/t6-/m1/s1.
What are the key properties of 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid?
4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-amino-1-oxobutan-2-yl]amino]butanoic acid is sourced from PubChem (CID 18609898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).