(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide

C13H19ClN2O — CID 93467019

IUPAC(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-5-12(15)13(17)16-9(2)10-6-4-7-11(14)8-10/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17)/t9-,12+/m1/s1
InChIKeyPLIOBTSDIXKYRC-SKDRFNHKSA-N
MW254.76 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide

(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide (PubChem CID 93467019) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
PubChem CID93467019
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-5-12(15)13(17)16-9(2)10-6-4-7-11(14)8-10/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17)/t9-,12+/m1/s1
InChIKeyPLIOBTSDIXKYRC-SKDRFNHKSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926302
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide (CID 93467019) is (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide is CCC[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide?
The InChIKey is PLIOBTSDIXKYRC-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-5-12(15)13(17)16-9(2)10-6-4-7-11(14)8-10/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17)/t9-,12+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide?
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide has a molecular weight of 254.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide is sourced from PubChem (CID 93467019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).