(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide

C14H20N2O — CID 130520934

IUPAC(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C14H20N2O/c1-16(10-12-5-3-2-4-6-12)14(17)13(15)9-11-7-8-11/h2-6,11,13H,7-10,15H2,1H3/t13-/m0/s1
InChIKeyVKZLQOMCOCZDQK-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds5

About (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide

(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide (PubChem CID 130520934) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
PubChem CID130520934
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C14H20N2O/c1-16(10-12-5-3-2-4-6-12)14(17)13(15)9-11-7-8-11/h2-6,11,13H,7-10,15H2,1H3/t13-/m0/s1
InChIKeyVKZLQOMCOCZDQK-ZDUSSCGKSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
CID 112818359
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
(Z)-5-[benzyl(methyl)amino]-2-methylhex-4-en-3-one
CID 176921550
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
2-amino-3-cyclopentyl-N-ethyl-N-methylpropanamide
CID 83618452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide (CID 130520934) is (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)[C@@H](N)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide?
The InChIKey is VKZLQOMCOCZDQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(10-12-5-3-2-4-6-12)14(17)13(15)9-11-7-8-11/h2-6,11,13H,7-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide?
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.77, 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-benzyl-3-cyclopropyl-N-methylpropanamide is sourced from PubChem (CID 130520934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).