(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid

C14H18N2O3 — CID 90425035

IUPAC(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
SMILESO=C1NCC1N(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c17-13-12(10-15-13)16(14(18)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKeyZUDKMVVVBHIUMR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.49
Rot. Bonds6

About (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid

(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid (PubChem CID 90425035) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
PubChem CID90425035
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
SMILESO=C1NCC1N(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c17-13-12(10-15-13)16(14(18)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKeyZUDKMVVVBHIUMR-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.49
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

octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915637
hexyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424537
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424931
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
CID 118915605
(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915559
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
1-amino-1-(4-phenylbutyl)urea
CID 170908979
4-phenylbutylbenzene
CID 141301927
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220

Frequently Asked Questions

What is the IUPAC name of (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid?
The IUPAC name of (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid (CID 90425035) is (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid.
What is the SMILES notation for (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid?
The canonical SMILES for (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid is O=C1NCC1N(CCCCc1ccccc1)C(=O)O.
What is the InChIKey of (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid?
The InChIKey is ZUDKMVVVBHIUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-12(10-15-13)16(14(18)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19).
What are the key properties of (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid?
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid has a molecular weight of 262.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid is sourced from PubChem (CID 90425035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).