(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide

C16H24N2O2 — CID 104985329

IUPAC(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-16(20)9-5-6-10-16)15(19)14(17)11-13-7-3-2-4-8-13/h2-4,7-8,14,20H,5-6,9-12,17H2,1H3/t14-/m0/s1
InChIKeyBNPQFLVQYUVKCY-AWEZNQCLSA-N
MW276.38 g/mol
LogP1.32
Rot. Bonds5

About (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 104985329) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID104985329
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-16(20)9-5-6-10-16)15(19)14(17)11-13-7-3-2-4-8-13/h2-4,7-8,14,20H,5-6,9-12,17H2,1H3/t14-/m0/s1
InChIKeyBNPQFLVQYUVKCY-AWEZNQCLSA-N
XLogP1.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Phenylalanyl-L-phenylalanine
CID 6993090
Phe-Gly
CID 6992304
L-Phenylalanyl-L-alanine
CID 5488196
Leu-phe
CID 6992310
L-alanyl-L-phenylalanine
CID 96814
Val-Phe
CID 6993120
Phe-Val
CID 7359122
L-Phenylalanyl-L-leucine
CID 76808
Leucyl-phenylalanine amide
CID 3082491
N-oleoyl phenylalanine
CID 52922059
Glycyl-L-phenylalanine
CID 92953
Glycyl-DL-phenylalanine
CID 97415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide (CID 104985329) is (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide is CN(CC1(O)CCCC1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is BNPQFLVQYUVKCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-16(20)9-5-6-10-16)15(19)14(17)11-13-7-3-2-4-8-13/h2-4,7-8,14,20H,5-6,9-12,17H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 104985329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).