[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate

C12H21NO3 — CID 144658074

IUPAC[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate
SMILESCCCC(C)[C@@H](OC(C)=O)C(=O)NC1CC1
InChIInChI=1S/C12H21NO3/c1-4-5-8(2)11(16-9(3)14)12(15)13-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)/t8?,11-/m1/s1
InChIKeySGYQTNGLFZWVQT-QHDYGNBISA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate

[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate (PubChem CID 144658074) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate
PubChem CID144658074
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate
SMILESCCCC(C)[C@@H](OC(C)=O)C(=O)NC1CC1
InChIInChI=1S/C12H21NO3/c1-4-5-8(2)11(16-9(3)14)12(15)13-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)/t8?,11-/m1/s1
InChIKeySGYQTNGLFZWVQT-QHDYGNBISA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate 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

[(3S)-1-(cyclopropylamino)-3-(methoxycarbonylamino)-1-oxohexan-2-yl] acetate
CID 70320225
[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate
CID 163857556
[(3S)-1-(cyclohexylamino)-3-isocyano-1-oxohexan-2-yl] acetate
CID 154574561
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
N-cycloheptyl-2-methylpentanamide
CID 4532030
N-cyclopropyl-3-methylhexanamide
CID 155359047

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate (CID 144658074) is [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate is CCCC(C)[C@@H](OC(C)=O)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate?
The InChIKey is SGYQTNGLFZWVQT-QHDYGNBISA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-5-8(2)11(16-9(3)14)12(15)13-10-6-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)/t8?,11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate?
[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate has a molecular weight of 227.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate is sourced from PubChem (CID 144658074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).