2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid

C15H15BrN2O2 — CID 107143038

IUPAC2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2ccc(Br)c3ccccc23)CNC1
InChIInChI=1S/C15H15BrN2O2/c16-12-5-6-13(11-4-2-1-3-10(11)12)18-15(7-14(19)20)8-17-9-15/h1-6,17-18H,7-9H2,(H,19,20)
InChIKeyAITPICVATBCZPD-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.83
Rot. Bonds4

About 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid

2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid (PubChem CID 107143038) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
PubChem CID107143038
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2ccc(Br)c3ccccc23)CNC1
InChIInChI=1S/C15H15BrN2O2/c16-12-5-6-13(11-4-2-1-3-10(11)12)18-15(7-14(19)20)8-17-9-15/h1-6,17-18H,7-9H2,(H,19,20)
InChIKeyAITPICVATBCZPD-UHFFFAOYSA-N
XLogP2.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-bromo-3-methylanilino)azetidin-3-yl]acetic acid
CID 107142956
2-[3-[4-bromo-3-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142772
2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
CID 107853795
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827
2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142225
2-[3-[2-fluoro-5-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142669
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid
CID 107142476
2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
CID 107142177
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid (CID 107143038) is 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid is O=C(O)CC1(Nc2ccc(Br)c3ccccc23)CNC1.
What is the InChIKey of 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid?
The InChIKey is AITPICVATBCZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-5-6-13(11-4-2-1-3-10(11)12)18-15(7-14(19)20)8-17-9-15/h1-6,17-18H,7-9H2,(H,19,20).
What are the key properties of 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid?
2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid has a molecular weight of 335.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).