(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide

C16H23ClN2O — CID 61163913

IUPAC(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H23ClN2O/c1-3-11(2)15(18)16(20)19(14-8-9-14)10-12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,15-/m0/s1
InChIKeyUWQKECADDZRJIH-NHYWBVRUSA-N
MW294.83 g/mol
LogP3.20
Rot. Bonds6

About (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide

(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide (PubChem CID 61163913) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
PubChem CID61163913
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H23ClN2O/c1-3-11(2)15(18)16(20)19(14-8-9-14)10-12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,15-/m0/s1
InChIKeyUWQKECADDZRJIH-NHYWBVRUSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
CID 60938691
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide (CID 61163913) is (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide?
The InChIKey is UWQKECADDZRJIH-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-11(2)15(18)16(20)19(14-8-9-14)10-12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide?
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide has a molecular weight of 294.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide is sourced from PubChem (CID 61163913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).