(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide

C15H21ClN2O — CID 66568347

IUPAC(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1
InChIKeyALSBPJFJVDFNLN-AWEZNQCLSA-N
MW280.80 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide

(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (PubChem CID 66568347) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
PubChem CID66568347
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1
InChIKeyALSBPJFJVDFNLN-AWEZNQCLSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
(2S)-2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutanamide
CID 66568552
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
4-amino-N-[(2-chlorophenyl)methyl]-N-cyclopentylpentanamide;hydrochloride
CID 120562365
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (CID 66568347) is (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is CC(C)[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The InChIKey is ALSBPJFJVDFNLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide has a molecular weight of 280.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 66568347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).