1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate

C27H40N2O6 — CID 161429718

IUPAC1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2=CCCC2)CCCCC1.O=C(NC1(C(=O)O)CCCCC1)C1=CCCC1
InChIInChI=1S/C14H21NO3.C13H19NO3/c1-18-13(17)14(9-5-2-6-10-14)15-12(16)11-7-3-4-8-11;15-11(10-6-2-3-7-10)14-13(12(16)17)8-4-1-5-9-13/h7H,2-6,8-10H2,1H3,(H,15,16);6H,1-5,7-9H2,(H,14,15)(H,16,17)
InChIKeyVXVRCJLSBPYDEJ-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.09
Rot. Bonds6

About 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate

1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate (PubChem CID 161429718) has the molecular formula C27H40N2O6 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate
PubChem CID161429718
Molecular FormulaC27H40N2O6
Molecular Weight488.63 g/mol
Exact Mass488.29
IUPAC Name1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2=CCCC2)CCCCC1.O=C(NC1(C(=O)O)CCCCC1)C1=CCCC1
InChIInChI=1S/C14H21NO3.C13H19NO3/c1-18-13(17)14(9-5-2-6-10-14)15-12(16)11-7-3-4-8-11;15-11(10-6-2-3-7-10)14-13(12(16)17)8-4-1-5-9-13/h7H,2-6,8-10H2,1H3,(H,15,16);6H,1-5,7-9H2,(H,14,15)(H,16,17)
InChIKeyVXVRCJLSBPYDEJ-UHFFFAOYSA-N
XLogP4.09
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
CID 11819967
methyl 1-[(2-aminobenzoyl)amino]cyclohexane-1-carboxylate
CID 139798702
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
methyl 1-[(2-iodobenzoyl)amino]cycloheptane-1-carboxylate
CID 30806055
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate
CID 141293142
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
methyl 1-[(5-amino-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 120619655

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate (CID 161429718) is 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C2=CCCC2)CCCCC1.O=C(NC1(C(=O)O)CCCCC1)C1=CCCC1.
What is the InChIKey of 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate?
The InChIKey is VXVRCJLSBPYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C13H19NO3/c1-18-13(17)14(9-5-2-6-10-14)15-12(16)11-7-3-4-8-11;15-11(10-6-2-3-7-10)14-13(12(16)17)8-4-1-5-9-13/h7H,2-6,8-10H2,1H3,(H,15,16);6H,1-5,7-9H2,(H,14,15)(H,16,17).
What are the key properties of 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate?
1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate has a molecular weight of 488.63 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 161429718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).