ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride

C14H25ClN2O3 — CID 119738217

IUPACethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)11-7-8-15-9-11;/h10-12,15H,2-9H2,1H3,(H,16,17);1H
InChIKeyRGLNELHNVVFMSU-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.26
Rot. Bonds4

About ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride

ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119738217) has the molecular formula C14H25ClN2O3 and a molecular weight of 304.82 g/mol. Its IUPAC name is ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
PubChem CID119738217
Molecular FormulaC14H25ClN2O3
Molecular Weight304.82 g/mol
Exact Mass304.16
IUPAC Nameethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)11-7-8-15-9-11;/h10-12,15H,2-9H2,1H3,(H,16,17);1H
InChIKeyRGLNELHNVVFMSU-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119297431
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride (CID 119738217) is ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(NC(=O)C2CCNC2)CC1.Cl.
What is the InChIKey of ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is RGLNELHNVVFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.ClH/c1-2-19-14(18)10-3-5-12(6-4-10)16-13(17)11-7-8-15-9-11;/h10-12,15H,2-9H2,1H3,(H,16,17);1H.
What are the key properties of ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119738217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).