2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid

C14H23NO3 — CID 81164623

IUPAC2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C14H23NO3/c16-12(17)9-14(7-4-8-14)10-15-13(18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,18)(H,16,17)
InChIKeyWMRSKRSPTMCCEF-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164623) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164623
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C14H23NO3/c16-12(17)9-14(7-4-8-14)10-15-13(18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,18)(H,16,17)
InChIKeyWMRSKRSPTMCCEF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104517767
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid (CID 81164623) is 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)C2CCCCC2)CCC1.
What is the InChIKey of 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is WMRSKRSPTMCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-12(17)9-14(7-4-8-14)10-15-13(18)11-5-2-1-3-6-11/h11H,1-10H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).