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

C15H25NO3 — CID 81164488

IUPAC2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c17-13(18)10-15(8-5-9-15)11-16-14(19)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,19)(H,17,18)
InChIKeyAHAGQWBSBSKDLQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds5

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

2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164488) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164488
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c17-13(18)10-15(8-5-9-15)11-16-14(19)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,19)(H,17,18)
InChIKeyAHAGQWBSBSKDLQ-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
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-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid (CID 81164488) is 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)C2CCCCCC2)CCC1.
What is the InChIKey of 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is AHAGQWBSBSKDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(18)10-15(8-5-9-15)11-16-14(19)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).