(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide

C17H24N2O3 — CID 6667454

IUPAC(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)N[C@@H](CO)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(13-7-3-2-4-8-13)16(21)19-15(11-20)17(22)18-14-9-5-6-10-14/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)/t12?,15-/m0/s1
InChIKeyAUKIAOYUVYVSNF-CVRLYYSRSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds6

About (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide

(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide (PubChem CID 6667454) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
PubChem CID6667454
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)N[C@@H](CO)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(13-7-3-2-4-8-13)16(21)19-15(11-20)17(22)18-14-9-5-6-10-14/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)/t12?,15-/m0/s1
InChIKeyAUKIAOYUVYVSNF-CVRLYYSRSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide
CID 4253359
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741
N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
N-cycloheptyl-2-phenylbutanamide
CID 2890971
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide (CID 6667454) is (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide is CC(C(=O)N[C@@H](CO)C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide?
The InChIKey is AUKIAOYUVYVSNF-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(13-7-3-2-4-8-13)16(21)19-15(11-20)17(22)18-14-9-5-6-10-14/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)/t12?,15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide?
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide is sourced from PubChem (CID 6667454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).