N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

C15H22N2O — CID 120505049

IUPACN-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESC[C@@H](CN)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H22N2O/c1-12(11-16)17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyFCAJOMXYZDLNJQ-LBPRGKRZSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 120505049) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID120505049
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESC[C@@H](CN)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H22N2O/c1-12(11-16)17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyFCAJOMXYZDLNJQ-LBPRGKRZSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-(1-aminohexan-2-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119667911
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119589993

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 120505049) is N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is C[C@@H](CN)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is FCAJOMXYZDLNJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(11-16)17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 120505049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).