2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid

C14H18N2O4 — CID 116681654

IUPAC2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCOc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O4/c1-9(13(17)18)10-7-16(8-10)14(19)15-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUUFMPSOHEFHDTG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116681654) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116681654
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCOc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O4/c1-9(13(17)18)10-7-16(8-10)14(19)15-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUUFMPSOHEFHDTG-UHFFFAOYSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683256
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
(3S,8R,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 170099301
(1R,9R)-N-(4-methoxyphenyl)-6-oxo-5-(propan-2-ylcarbamoylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 11885919

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116681654) is 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid is COc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is UUFMPSOHEFHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(13(17)18)10-7-16(8-10)14(19)15-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).