2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate

C17H24N2O4 — CID 69490767

IUPAC2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-13(2)11-23-17(21)19-9-15(10-19)8-18-16(20)22-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyFOFFZIOPSDWZFP-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.64
Rot. Bonds6

About 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate

2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate (PubChem CID 69490767) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate
PubChem CID69490767
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-13(2)11-23-17(21)19-9-15(10-19)8-18-16(20)22-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyFOFFZIOPSDWZFP-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 143244812
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
tert-butyl (3S,4S)-3-methoxy-4-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate
CID 59026132
benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate (CID 69490767) is 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate is CC(C)COC(=O)N1CC(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate?
The InChIKey is FOFFZIOPSDWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(2)11-23-17(21)19-9-15(10-19)8-18-16(20)22-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20).
What are the key properties of 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate?
2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate is sourced from PubChem (CID 69490767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).