cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 114091717

IUPACcis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13-10(15)7-14-11(16)8-5-3-4-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t8-,9+/m1/s1
InChIKeyXENRMCWVOALLSK-BDAKNGLRSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds5

About cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114091717) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114091717
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namecis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCNC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13-10(15)7-14-11(16)8-5-3-4-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t8-,9+/m1/s1
InChIKeyXENRMCWVOALLSK-BDAKNGLRSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092786
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944416
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 114091717) is cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid is CCNC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XENRMCWVOALLSK-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13-10(15)7-14-11(16)8-5-3-4-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114091717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).