(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide

C16H24N2O2 — CID 56998596

IUPAC(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCCC1
InChIInChI=1S/C16H24N2O2/c17-14(10-12-6-2-1-3-7-12)15(19)16(20)18-11-13-8-4-5-9-13/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t14-,15?/m0/s1
InChIKeyFEWAWCBDPUKELJ-MLCCFXAWSA-N
MW276.38 g/mol
LogP1.22
Rot. Bonds6

About (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide

(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide (PubChem CID 56998596) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
PubChem CID56998596
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCCC1
InChIInChI=1S/C16H24N2O2/c17-14(10-12-6-2-1-3-7-12)15(19)16(20)18-11-13-8-4-5-9-13/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t14-,15?/m0/s1
InChIKeyFEWAWCBDPUKELJ-MLCCFXAWSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
(2S,3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-N-(cyclohexylmethyl)-2-hydroxy-4-phenylbutanamide
CID 501725
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
CID 87998409
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide?
The IUPAC name of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide (CID 56998596) is (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide is N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCCC1.
What is the InChIKey of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide?
The InChIKey is FEWAWCBDPUKELJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14(10-12-6-2-1-3-7-12)15(19)16(20)18-11-13-8-4-5-9-13/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t14-,15?/m0/s1.
What are the key properties of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide?
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 56998596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).