[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid

C17H25F2N3O2 — CID 175202285

IUPAC[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)CC1CN(c2cc(F)c(CCN)cc2F)C1
InChIInChI=1S/C17H25F2N3O2/c1-17(2,21(3)16(23)24)8-11-9-22(10-11)15-7-13(18)12(4-5-20)6-14(15)19/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,23,24)
InChIKeySKEISNKAQCFXHZ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.68
Rot. Bonds6

About [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid

[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid (PubChem CID 175202285) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid
PubChem CID175202285
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)CC1CN(c2cc(F)c(CCN)cc2F)C1
InChIInChI=1S/C17H25F2N3O2/c1-17(2,21(3)16(23)24)8-11-9-22(10-11)15-7-13(18)12(4-5-20)6-14(15)19/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,23,24)
InChIKeySKEISNKAQCFXHZ-UHFFFAOYSA-N
XLogP2.68
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid 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

tert-butyl 3-[4-(2-aminoethyl)-2,5-difluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 139578277
[1-[1-(4-bromo-2,5-difluorophenyl)azetidin-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 175196185
tert-butyl N-[1-[2,5-difluoro-4-[2-(phenylmethoxycarbonylamino)ethyl]phenyl]-4-fluoropyrrolidin-3-yl]-N-methylcarbamate
CID 153311078
tert-butyl N-[2-[2,5-difluoro-4-(3-fluoropyrrolidin-1-yl)phenyl]ethyl]carbamate
CID 175196167
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
4-(2-aminoethyl)-3-fluorobenzoic acid
CID 68728467
1-(4-bromo-2,5-difluorophenyl)-3-ethylazetidine
CID 107612888
tert-butyl-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69001434
2-amino-5-(3-ethyl-4-methylpiperazin-1-yl)-4-fluorobenzoic acid
CID 63604256
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482
4-[3-(aminomethyl)pyrrolidin-1-yl]-3,5-difluorobenzoic acid
CID 63184853
[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
CID 88887807

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid?
The IUPAC name of [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid (CID 175202285) is [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid?
The canonical SMILES for [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid is CN(C(=O)O)C(C)(C)CC1CN(c2cc(F)c(CCN)cc2F)C1.
What is the InChIKey of [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid?
The InChIKey is SKEISNKAQCFXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-17(2,21(3)16(23)24)8-11-9-22(10-11)15-7-13(18)12(4-5-20)6-14(15)19/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,23,24).
What are the key properties of [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid?
[1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid has a molecular weight of 341.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-yl]-2-methylpropan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 175202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).