1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63954830

IUPAC1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCN(CC1CC1)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H26N2O3/c1-3-17(10-12-4-5-12)14(20)16-15(13(18)19)8-6-11(2)7-9-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYIHVJSYSVDBBNP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid

1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63954830) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID63954830
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCN(CC1CC1)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H26N2O3/c1-3-17(10-12-4-5-12)14(20)16-15(13(18)19)8-6-11(2)7-9-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYIHVJSYSVDBBNP-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-carbamothioyl-4-methylcyclohexyl)-1,1-diethylurea
CID 79161664
4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61186309
4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63958332
4-methyl-1-[[methyl(propan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61181106
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
1-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 63228445
1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61184362

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 63954830) is 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid is CCN(CC1CC1)C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YIHVJSYSVDBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-17(10-12-4-5-12)14(20)16-15(13(18)19)8-6-11(2)7-9-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63954830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).