4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 114101646

IUPAC4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC1(CNC(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-14(7-8-14)9-15-12(16)10-3-5-11(6-4-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXEORECZZRCSJKN-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114101646) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114101646
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC1(CNC(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-14(7-8-14)9-15-12(16)10-3-5-11(6-4-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXEORECZZRCSJKN-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673700
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103810853
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
(2R,3S)-3-[(1-ethylcyclopropyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114099270
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 114758299

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114101646) is 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCC1(CNC(=O)C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XEORECZZRCSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-14(7-8-14)9-15-12(16)10-3-5-11(6-4-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114101646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).