(2S)-2-(butanoylamino)-5-oxopentanoic acid

C9H15NO4 — CID 174872507

IUPAC(2S)-2-(butanoylamino)-5-oxopentanoic acid
SMILESCCCC(=O)N[C@@H](CCC=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-4-8(12)10-7(9(13)14)5-3-6-11/h6-7H,2-5H2,1H3,(H,10,12)(H,13,14)/t7-/m0/s1
InChIKeyGRIHHSBEIOAASZ-ZETCQYMHSA-N
MW201.22 g/mol
LogP0.34
Rot. Bonds7

About (2S)-2-(butanoylamino)-5-oxopentanoic acid

(2S)-2-(butanoylamino)-5-oxopentanoic acid (PubChem CID 174872507) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-2-(butanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(butanoylamino)-5-oxopentanoic acid
PubChem CID174872507
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-2-(butanoylamino)-5-oxopentanoic acid
SMILESCCCC(=O)N[C@@H](CCC=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-4-8(12)10-7(9(13)14)5-3-6-11/h6-7H,2-5H2,1H3,(H,10,12)(H,13,14)/t7-/m0/s1
InChIKeyGRIHHSBEIOAASZ-ZETCQYMHSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2S)-2-acetamido-5-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 134482695
2-(18-oxooctadecanoylamino)pentanoic acid
CID 123209154
(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
4-formamido-2-(pentanoylamino)butanoic acid
CID 57320299
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2R)-7-amino-2-(butanoylamino)oct-7-enoic acid
CID 59958595
(2R)-2-[[(E)-3-ethylhept-4-enoyl]amino]-5-oxopentanoic acid
CID 173343908
2-(butanoylamino)butanedioic acid;zinc
CID 174973870
(2S)-4-hydroxy-2-(7-oxoheptanoylamino)butanoic acid
CID 91574406
sodium;2-(butanoylamino)butanedioic acid;hydride
CID 174974631

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butanoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(butanoylamino)-5-oxopentanoic acid (CID 174872507) is (2S)-2-(butanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(butanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(butanoylamino)-5-oxopentanoic acid is CCCC(=O)N[C@@H](CCC=O)C(=O)O.
What is the InChIKey of (2S)-2-(butanoylamino)-5-oxopentanoic acid?
The InChIKey is GRIHHSBEIOAASZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-4-8(12)10-7(9(13)14)5-3-6-11/h6-7H,2-5H2,1H3,(H,10,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(butanoylamino)-5-oxopentanoic acid?
(2S)-2-(butanoylamino)-5-oxopentanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 174872507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).