N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide

C7H14N2O2 — CID 54110104

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-4-6(10)9-5(2)7(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t5-/m1/s1
InChIKeyNGMIBSHGOWDFKK-RXMQYKEDSA-N
MW158.20 g/mol
LogP-0.22
Rot. Bonds4

About N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide

N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide (PubChem CID 54110104) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
PubChem CID54110104
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-4-6(10)9-5(2)7(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t5-/m1/s1
InChIKeyNGMIBSHGOWDFKK-RXMQYKEDSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropropanoylamino)propanamide
CID 43545572
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
ethane;N-propan-2-ylbutanamide
CID 169175258
methyl 2-(pentanoylamino)propanoate
CID 541659
N-[(2R)-1-amino-3-[[3-amino-2-(butanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]butanamide
CID 91328752
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
diethyl 2-(butanoylamino)propanedioate
CID 13130446

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide (CID 54110104) is N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide is CCCC(=O)N[C@H](C)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide?
The InChIKey is NGMIBSHGOWDFKK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-6(10)9-5(2)7(8)11/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide has a molecular weight of 158.20 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 54110104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).