cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate

C15H17N2O4- — CID 6920114

IUPACcis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C15H18N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-10H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t9-,10+/m0/s1
InChIKeyLVCKPUKXIKKAOR-VHSXEESVSA-M
MW289.31 g/mol
LogP0.28
Rot. Bonds4

About cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate

cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6920114) has the molecular formula C15H17N2O4- and a molecular weight of 289.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6920114
Molecular FormulaC15H17N2O4-
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Namecis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C15H18N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-10H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t9-,10+/m0/s1
InChIKeyLVCKPUKXIKKAOR-VHSXEESVSA-M
XLogP0.28
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R,2S)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6940402
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6937463
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 78429348
trans-(1S,2S)-2-[(2,3-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6951012
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate (CID 6920114) is cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate is NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is LVCKPUKXIKKAOR-VHSXEESVSA-M. The full InChI is InChI=1S/C15H18N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-10H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate?
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6920114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).