4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 104963976

IUPAC4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CNC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-11(4-2)9-16-15(20)17-10-12-5-7-13(8-6-12)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDYIDQBVESAYKQZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds7

About 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 104963976) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID104963976
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CNC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-11(4-2)9-16-15(20)17-10-12-5-7-13(8-6-12)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDYIDQBVESAYKQZ-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
4-[(hexylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532469
4-[[[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 90769692
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[(but-3-enylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963932
4-[[[4-(difluoromethyl)phenyl]methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 146143091
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532050
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-[(4-methylsulfinylbutan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963958

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 104963976) is 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is CCC(CC)CNC(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DYIDQBVESAYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-11(4-2)9-16-15(20)17-10-12-5-7-13(8-6-12)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104963976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).