2-[1-(hexanoylamino)cyclobutyl]acetic acid

C12H21NO3 — CID 79848224

IUPAC2-[1-(hexanoylamino)cyclobutyl]acetic acid
SMILESCCCCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-6-10(14)13-12(7-5-8-12)9-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyDPJOILIXQOYZDH-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.08
Rot. Bonds7

About 2-[1-(hexanoylamino)cyclobutyl]acetic acid

2-[1-(hexanoylamino)cyclobutyl]acetic acid (PubChem CID 79848224) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-(hexanoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(hexanoylamino)cyclobutyl]acetic acid
PubChem CID79848224
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-(hexanoylamino)cyclobutyl]acetic acid
SMILESCCCCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-6-10(14)13-12(7-5-8-12)9-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyDPJOILIXQOYZDH-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.08
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-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
2-[1-(3-ethylsulfanylpropanoylamino)cyclobutyl]acetic acid
CID 115730896
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hexanoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(hexanoylamino)cyclobutyl]acetic acid (CID 79848224) is 2-[1-(hexanoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(hexanoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(hexanoylamino)cyclobutyl]acetic acid is CCCCCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(hexanoylamino)cyclobutyl]acetic acid?
The InChIKey is DPJOILIXQOYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-6-10(14)13-12(7-5-8-12)9-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(hexanoylamino)cyclobutyl]acetic acid?
2-[1-(hexanoylamino)cyclobutyl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hexanoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79848224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).