2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid

C12H18N2O3 — CID 114411634

IUPAC2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CC=CCC2)CCC1
InChIInChI=1S/C12H18N2O3/c15-10(16)9-12(5-4-6-12)13-11(17)14-7-2-1-3-8-14/h1-2H,3-9H2,(H,13,17)(H,15,16)
InChIKeyLMWZRTQGCWWUHA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.36
Rot. Bonds3

About 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid

2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid (PubChem CID 114411634) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
PubChem CID114411634
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CC=CCC2)CCC1
InChIInChI=1S/C12H18N2O3/c15-10(16)9-12(5-4-6-12)13-11(17)14-7-2-1-3-8-14/h1-2H,3-9H2,(H,13,17)(H,15,16)
InChIKeyLMWZRTQGCWWUHA-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
CID 114411790
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
CID 79851305
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[(2-cyanomorpholine-4-carbonyl)amino]cyclobutyl]acetic acid
CID 79851632
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid (CID 114411634) is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N2CC=CCC2)CCC1.
What is the InChIKey of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is LMWZRTQGCWWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10(16)9-12(5-4-6-12)13-11(17)14-7-2-1-3-8-14/h1-2H,3-9H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid?
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 114411634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).