(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

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Related Compounds

(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methyl-3-phenylpropanamide
CID 119333582
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-methylbutanoic acid
CID 86751008

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).