1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C12H20F2N2O4 — CID 107481655

IUPAC1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H20F2N2O4/c13-9(14)8-16(6-7-17)11(20)15-12(10(18)19)4-2-1-3-5-12/h9,17H,1-8H2,(H,15,20)(H,18,19)
InChIKeyNRCPNFPLKWEUQE-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.04
Rot. Bonds6

About 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107481655) has the molecular formula C12H20F2N2O4 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID107481655
Molecular FormulaC12H20F2N2O4
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H20F2N2O4/c13-9(14)8-16(6-7-17)11(20)15-12(10(18)19)4-2-1-3-5-12/h9,17H,1-8H2,(H,15,20)(H,18,19)
InChIKeyNRCPNFPLKWEUQE-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 107478956
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658
1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61192725
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479760
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479763
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]butanedioic acid
CID 107481827

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 107481655) is 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)N(CCO)CC(F)F.
What is the InChIKey of 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NRCPNFPLKWEUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O4/c13-9(14)8-16(6-7-17)11(20)15-12(10(18)19)4-2-1-3-5-12/h9,17H,1-8H2,(H,15,20)(H,18,19).
What are the key properties of 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107481655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).