(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide

C21H25FN2O — CID 119293561

IUPAC(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21(12-4-5-13-21)15-24-20(25)19(23)14-16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15,23H2,(H,24,25)/t19-/m0/s1
InChIKeyIUJYWOCSWZYDJB-IBGZPJMESA-N
MW340.44 g/mol
LogP3.32
Rot. Bonds6

About (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide

(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide (PubChem CID 119293561) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
PubChem CID119293561
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21(12-4-5-13-21)15-24-20(25)19(23)14-16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15,23H2,(H,24,25)/t19-/m0/s1
InChIKeyIUJYWOCSWZYDJB-IBGZPJMESA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
CID 55941118
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide (CID 119293561) is (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide?
The InChIKey is IUJYWOCSWZYDJB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21(12-4-5-13-21)15-24-20(25)19(23)14-16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15,23H2,(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide has a molecular weight of 340.44 g/mol, XLogP of 3.32, 6 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-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119293561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).