(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide

C15H22N2O — CID 119316008

IUPAC(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
SMILESCc1cccc(C2(NC(=O)[C@H](C)N)CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11-6-5-7-13(10-11)15(8-3-4-9-15)17-14(18)12(2)16/h5-7,10,12H,3-4,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyIIZJCWPVPXTSLL-LBPRGKRZSA-N
MW246.35 g/mol
LogP2.23
Rot. Bonds3

About (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide

(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide (PubChem CID 119316008) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
PubChem CID119316008
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
SMILESCc1cccc(C2(NC(=O)[C@H](C)N)CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11-6-5-7-13(10-11)15(8-3-4-9-15)17-14(18)12(2)16/h5-7,10,12H,3-4,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyIIZJCWPVPXTSLL-LBPRGKRZSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
4-[[1-(3-methylphenyl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673434
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
2-amino-N-(2-phenyl-1,3-dihydroinden-2-yl)propanamide
CID 19846148
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
CID 56825522
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 154870795
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide (CID 119316008) is (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide is Cc1cccc(C2(NC(=O)[C@H](C)N)CCCC2)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide?
The InChIKey is IIZJCWPVPXTSLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-5-7-13(10-11)15(8-3-4-9-15)17-14(18)12(2)16/h5-7,10,12H,3-4,8-9,16H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide?
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide is sourced from PubChem (CID 119316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).