(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide

C16H24N2O2 — CID 104984321

IUPAC(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H24N2O2/c17-14(9-8-13-6-2-1-3-7-13)15(20)18-16(12-19)10-4-5-11-16/h1-3,6-7,14,19H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyJXFUXIQUKZLYHJ-AWEZNQCLSA-N
MW276.38 g/mol
LogP1.37
Rot. Bonds6

About (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide

(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide (PubChem CID 104984321) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
PubChem CID104984321
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C16H24N2O2/c17-14(9-8-13-6-2-1-3-7-13)15(20)18-16(12-19)10-4-5-11-16/h1-3,6-7,14,19H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyJXFUXIQUKZLYHJ-AWEZNQCLSA-N
XLogP1.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
CID 110008529
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
CID 62521811
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide (CID 104984321) is (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NC1(CO)CCCC1.
What is the InChIKey of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide?
The InChIKey is JXFUXIQUKZLYHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14(9-8-13-6-2-1-3-7-13)15(20)18-16(12-19)10-4-5-11-16/h1-3,6-7,14,19H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide?
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide is sourced from PubChem (CID 104984321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).