2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid

C17H29NO3 — CID 81164040

IUPAC2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CCCC2CCCCC2)CCC1
InChIInChI=1S/C17H29NO3/c19-15(9-4-8-14-6-2-1-3-7-14)18-13-17(10-5-11-17)12-16(20)21/h14H,1-13H2,(H,18,19)(H,20,21)
InChIKeyFMSZJSYVLUOWRJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.50
Rot. Bonds8

About 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164040) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164040
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CCCC2CCCCC2)CCC1
InChIInChI=1S/C17H29NO3/c19-15(9-4-8-14-6-2-1-3-7-14)18-13-17(10-5-11-17)12-16(20)21/h14H,1-13H2,(H,18,19)(H,20,21)
InChIKeyFMSZJSYVLUOWRJ-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid (CID 81164040) is 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)CCCC2CCCCC2)CCC1.
What is the InChIKey of 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is FMSZJSYVLUOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-15(9-4-8-14-6-2-1-3-7-14)18-13-17(10-5-11-17)12-16(20)21/h14H,1-13H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).