4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C19H26N2O3 — CID 122007144

IUPAC4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)NC2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-19(2)11-16(14-5-3-4-6-15(14)19)21-18(24)20-13-9-7-12(8-10-13)17(22)23/h3-6,12-13,16H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyFZKRSOGYAQNLAS-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.35
Rot. Bonds3

About 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122007144) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122007144
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)NC2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-19(2)11-16(14-5-3-4-6-15(14)19)21-18(24)20-13-9-7-12(8-10-13)17(22)23/h3-6,12-13,16H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyFZKRSOGYAQNLAS-UHFFFAOYSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
CID 120873256
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea
CID 97092979
4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023627
1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 66351408
2,2,2-trichloroethyl N-(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 102401528
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
N-cyclopropyl-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propanamide
CID 79377266
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
4-[(3-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 155955393
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122007144) is 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1(C)CC(NC(=O)NC2CCC(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FZKRSOGYAQNLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)11-16(14-5-3-4-6-15(14)19)21-18(24)20-13-9-7-12(8-10-13)17(22)23/h3-6,12-13,16H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122007144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).