ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate

C14H21N3O3 — CID 141002152

IUPACethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1cnc[nH]1)C1CCCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-13(18)7-8-17(11-5-3-4-6-11)14(19)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyXVACBQAVHWHKCL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.75
Rot. Bonds6

About ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate

ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate (PubChem CID 141002152) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate
PubChem CID141002152
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1cnc[nH]1)C1CCCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-13(18)7-8-17(11-5-3-4-6-11)14(19)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyXVACBQAVHWHKCL-UHFFFAOYSA-N
XLogP1.75
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 102684999
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
ethyl 3-[cyclohexyl(triethoxysilylmethyl)amino]propanoate
CID 140847908
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
CID 42698446
5-(1-ethoxyethenyl)-1H-imidazole
CID 67268300
N-methyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 110475288
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate (CID 141002152) is ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate is CCOC(=O)CCN(C(=O)c1cnc[nH]1)C1CCCC1.
What is the InChIKey of ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate?
The InChIKey is XVACBQAVHWHKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-13(18)7-8-17(11-5-3-4-6-11)14(19)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate?
ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 141002152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).