N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

C15H20N2O3 — CID 95342006

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H](C)C(N)=O)CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(8-12(9)20-3)15(6-7-15)14(19)17-10(2)13(16)18/h4-5,8,10H,6-7H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyHPRKQFMYZJIHGO-JTQLQIEISA-N
MW276.34 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 95342006) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID95342006
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)N[C@@H](C)C(N)=O)CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(8-12(9)20-3)15(6-7-15)14(19)17-10(2)13(16)18/h4-5,8,10H,6-7H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyHPRKQFMYZJIHGO-JTQLQIEISA-N
XLogP1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide (CID 95342006) is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is COc1cc(C2(C(=O)N[C@@H](C)C(N)=O)CC2)ccc1C.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is HPRKQFMYZJIHGO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-5-11(8-12(9)20-3)15(6-7-15)14(19)17-10(2)13(16)18/h4-5,8,10H,6-7H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95342006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).