2-amino-5-oxo-5-(4-oxobutylamino)pentanoate

C9H15N2O4- — CID 165361804

IUPAC2-amino-5-oxo-5-(4-oxobutylamino)pentanoate
SMILESNC(CCC(=O)NCCCC=O)C(=O)[O-]
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/p-1
InChIKeyJZNLEPLZUABCSQ-UHFFFAOYSA-M
MW215.23 g/mol
LogP-2.06
Rot. Bonds8

About 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate

2-amino-5-oxo-5-(4-oxobutylamino)pentanoate (PubChem CID 165361804) has the molecular formula C9H15N2O4- and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate.

Molecular Properties

Compound Name2-amino-5-oxo-5-(4-oxobutylamino)pentanoate
PubChem CID165361804
Molecular FormulaC9H15N2O4-
Molecular Weight215.23 g/mol
Exact Mass215.10
IUPAC Name2-amino-5-oxo-5-(4-oxobutylamino)pentanoate
SMILESNC(CCC(=O)NCCCC=O)C(=O)[O-]
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/p-1
InChIKeyJZNLEPLZUABCSQ-UHFFFAOYSA-M
XLogP-2.06
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-oxobutyl)butanamide
CID 123471049
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
N-(4-oxobutyl)carbamate
CID 18436941
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
CID 173333706
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
N-(9-aminononyl)-9-oxononanamide
CID 174335255
magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827
6-oxo-N-pentylhexanamide
CID 90124095

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate?
The IUPAC name of 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate (CID 165361804) is 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate.
What is the SMILES notation for 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate?
The canonical SMILES for 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate is NC(CCC(=O)NCCCC=O)C(=O)[O-].
What is the InChIKey of 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate?
The InChIKey is JZNLEPLZUABCSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/p-1.
What are the key properties of 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate?
2-amino-5-oxo-5-(4-oxobutylamino)pentanoate has a molecular weight of 215.23 g/mol, XLogP of -2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-5-(4-oxobutylamino)pentanoate is sourced from PubChem (CID 165361804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).