(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C13H21N5O2 — CID 97219658

IUPAC(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N[C@@H](C)c1ncn[nH]1)C1CCCC1
InChIInChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18)/t8-,11+/m0/s1
InChIKeyUBMFPXDCWNVFGL-GZMMTYOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds5

About (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 97219658) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID97219658
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N[C@@H](C)c1ncn[nH]1)C1CCCC1
InChIInChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18)/t8-,11+/m0/s1
InChIKeyUBMFPXDCWNVFGL-GZMMTYOYSA-N
XLogP0.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75483889
N~2~-(aminocarbonyl)-N~1~-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]glycinamide
CID 91792809
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 100221904
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 113252233
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
(2S)-4-methyl-2-[({[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]amino}carbonyl)amino]pentanamide
CID 121510627
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 126795725
cis-(1R,3S)-1,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 137995501
(2R)-2-acetamido-N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-cyclobutylpropanamide
CID 137995790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 97219658) is (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ncn[nH]1)C1CCCC1.
What is the InChIKey of (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is UBMFPXDCWNVFGL-GZMMTYOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18)/t8-,11+/m0/s1.
What are the key properties of (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 97219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).