ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride

C14H25ClN2O3 — CID 119297431

IUPACethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-5-7-11(8-6-10)16-13(17)12-4-3-9-15-12;/h10-12,15H,2-9H2,1H3,(H,16,17);1H
InChIKeyHGTLKCIGJKXWJS-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.40
Rot. Bonds4

About ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride

ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119297431) has the molecular formula C14H25ClN2O3 and a molecular weight of 304.82 g/mol. Its IUPAC name is ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
PubChem CID119297431
Molecular FormulaC14H25ClN2O3
Molecular Weight304.82 g/mol
Exact Mass304.16
IUPAC Nameethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-5-7-11(8-6-10)16-13(17)12-4-3-9-15-12;/h10-12,15H,2-9H2,1H3,(H,16,17);1H
InChIKeyHGTLKCIGJKXWJS-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
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N-(4-propylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119304208
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride (CID 119297431) is ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(NC(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is HGTLKCIGJKXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-5-7-11(8-6-10)16-13(17)12-4-3-9-15-12;/h10-12,15H,2-9H2,1H3,(H,16,17);1H.
What are the key properties of ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119297431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).