cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate

C18H23N5O3 — CID 124507477

IUPACcyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
SMILESC[C@H](Cn1cncn1)NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C18H23N5O3/c1-13(10-23-12-19-11-20-23)21-18(25)22-15-8-6-14(7-9-15)17(24)26-16-4-2-3-5-16/h6-9,11-13,16H,2-5,10H2,1H3,(H2,21,22,25)/t13-/m1/s1
InChIKeyUOEZMNHRTKGDFP-CYBMUJFWSA-N
MW357.41 g/mol
LogP2.59
Rot. Bonds6

About cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate

cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate (PubChem CID 124507477) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Namecyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
PubChem CID124507477
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Namecyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
SMILESC[C@H](Cn1cncn1)NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C18H23N5O3/c1-13(10-23-12-19-11-20-23)21-18(25)22-15-8-6-14(7-9-15)17(24)26-16-4-2-3-5-16/h6-9,11-13,16H,2-5,10H2,1H3,(H2,21,22,25)/t13-/m1/s1
InChIKeyUOEZMNHRTKGDFP-CYBMUJFWSA-N
XLogP2.59
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclododecyl 4-acetamidobenzoate
CID 3973983
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522
1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125174038
1-(5-acetyl-2-ethoxyphenyl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125167955
cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
CID 72864824
1-[2-(piperidin-1-ylmethyl)phenyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97284665
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97455447
N,N-diethyl-3-methyl-4-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzamide
CID 125176908
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate?
The IUPAC name of cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate (CID 124507477) is cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate.
What is the SMILES notation for cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate?
The canonical SMILES for cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate is C[C@H](Cn1cncn1)NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate?
The InChIKey is UOEZMNHRTKGDFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13(10-23-12-19-11-20-23)21-18(25)22-15-8-6-14(7-9-15)17(24)26-16-4-2-3-5-16/h6-9,11-13,16H,2-5,10H2,1H3,(H2,21,22,25)/t13-/m1/s1.
What are the key properties of cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate?
cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate is sourced from PubChem (CID 124507477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).