2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 64817341

IUPAC2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-11(9-10-7-8-10)16-15(20)17-13-6-4-3-5-12(13)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWAZVUFRXCOBSDT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds6

About 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64817341) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64817341
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-11(9-10-7-8-10)16-15(20)17-13-6-4-3-5-12(13)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWAZVUFRXCOBSDT-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817528
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092378
2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64815427
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 103112486
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
1-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 63993781
2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 63994181
4-(1-cyclopropylbutan-2-ylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77014861
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64817341) is 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC(CC1CC1)NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WAZVUFRXCOBSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11(9-10-7-8-10)16-15(20)17-13-6-4-3-5-12(13)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).