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

C14H25NO3 — CID 81165521

IUPAC2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
SMILESCCCCCCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-7-12(16)15-11-14(8-6-9-14)10-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyINHMIRNRGADJPR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds9

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

2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81165521) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81165521
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
SMILESCCCCCCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-7-12(16)15-11-14(8-6-9-14)10-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyINHMIRNRGADJPR-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
2-[1-[(3-propoxypropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164500
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid (CID 81165521) is 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid is CCCCCCC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is INHMIRNRGADJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-7-12(16)15-11-14(8-6-9-14)10-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).