(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate

C14H20ClN3O3 — CID 71895623

IUPAC(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate
SMILESCn1c(Cl)cnc1COC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C14H20ClN3O3/c1-18-11(15)8-17-12(18)9-21-13(19)6-7-16-14(20)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,20)
InChIKeyRPKAJILZQUXIJE-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.81
Rot. Bonds6

About (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate

(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate (PubChem CID 71895623) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate
PubChem CID71895623
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate
SMILESCn1c(Cl)cnc1COC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C14H20ClN3O3/c1-18-11(15)8-17-12(18)9-21-13(19)6-7-16-14(20)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,20)
InChIKeyRPKAJILZQUXIJE-UHFFFAOYSA-N
XLogP1.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate (CID 71895623) is (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate is Cn1c(Cl)cnc1COC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate?
The InChIKey is RPKAJILZQUXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-18-11(15)8-17-12(18)9-21-13(19)6-7-16-14(20)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,20).
What are the key properties of (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate?
(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate has a molecular weight of 313.79 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate is sourced from PubChem (CID 71895623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).