2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid

C12H22N2O4 — CID 119223676

IUPAC2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
SMILESCCC(NC(=O)CCCC(=O)NC(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-9(12(17)18)14-11(16)7-5-6-10(15)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLKEPMPWBUURXOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.66
Rot. Bonds8

About 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid

2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid (PubChem CID 119223676) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
PubChem CID119223676
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
SMILESCCC(NC(=O)CCCC(=O)NC(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-9(12(17)18)14-11(16)7-5-6-10(15)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLKEPMPWBUURXOS-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-aminohexanoylamino)butanoic acid
CID 82851641
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
(2S)-2-(7-sulfanylheptanoylamino)butanoic acid
CID 155171272
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
N,N'-di(propan-2-yl)decanediamide
CID 58997511
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
2-(octadec-9-enoylamino)butanoic acid
CID 85040613
18-[[(1S)-1-carboxy-4-oxo-4-(propan-2-ylamino)butyl]amino]-18-oxooctadecanoic acid;methanethioic S-acid
CID 171814319
2-[3-(2-methylpropylsulfanyl)propanoylamino]butanoic acid
CID 115909884
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160

Frequently Asked Questions

What is the IUPAC name of 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid?
The IUPAC name of 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid (CID 119223676) is 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid is CCC(NC(=O)CCCC(=O)NC(C)C)C(=O)O.
What is the InChIKey of 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid?
The InChIKey is LKEPMPWBUURXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-9(12(17)18)14-11(16)7-5-6-10(15)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid?
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid is sourced from PubChem (CID 119223676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).