2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid

C12H22N2O3 — CID 64617301

IUPAC2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCCCCCNC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-4-5-6-13-12(17)14-8-10(9-14)7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyMAZZVZHHOQLACT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds7

About 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64617301) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64617301
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCCCCCNC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-4-5-6-13-12(17)14-8-10(9-14)7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyMAZZVZHHOQLACT-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
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

2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114101498
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616867
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
2-[1-[3-(triazol-1-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 113413120
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
N-pentyl-2,5-dihydropyrrole-1-carboxamide
CID 3824227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid (CID 64617301) is 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid is CCCCCCNC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is MAZZVZHHOQLACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-4-5-6-13-12(17)14-8-10(9-14)7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).