N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide

C9H18N2O2 — CID 88957287

IUPACN-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
SMILESCCCCC(=O)N[C@@H](CC)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-5-6-8(12)11-7(4-2)9(10)13/h7H,3-6H2,1-2H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyWPIGSINHGWAVHO-ZETCQYMHSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds6

About N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide

N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide (PubChem CID 88957287) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
PubChem CID88957287
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
SMILESCCCCC(=O)N[C@@H](CC)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-5-6-8(12)11-7(4-2)9(10)13/h7H,3-6H2,1-2H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyWPIGSINHGWAVHO-ZETCQYMHSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2S)-6-amino-2-(octanoylamino)-7-oxotetradecanamide
CID 87813110
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
2-(butylamino)butanamide
CID 62901736
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide?
The IUPAC name of N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide (CID 88957287) is N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide is CCCCC(=O)N[C@@H](CC)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide?
The InChIKey is WPIGSINHGWAVHO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-6-8(12)11-7(4-2)9(10)13/h7H,3-6H2,1-2H3,(H2,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide?
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 88957287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).