2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid

C16H27NO3 — CID 114457209

IUPAC2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CC2CCCCCC2)CCC1
InChIInChI=1S/C16H27NO3/c18-14(10-13-6-3-1-2-4-7-13)17-12-16(8-5-9-16)11-15(19)20/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyBOVNHFCFVYYGEA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds6

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

2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 114457209) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID114457209
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CC2CCCCCC2)CCC1
InChIInChI=1S/C16H27NO3/c18-14(10-13-6-3-1-2-4-7-13)17-12-16(8-5-9-16)11-15(19)20/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyBOVNHFCFVYYGEA-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclopentylacetamide
CID 115456696
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103167014
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104517767
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154911412
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-cyclobutylacetamide
CID 103167045
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid (CID 114457209) is 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)CC2CCCCCC2)CCC1.
What is the InChIKey of 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is BOVNHFCFVYYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-14(10-13-6-3-1-2-4-7-13)17-12-16(8-5-9-16)11-15(19)20/h13H,1-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 114457209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).