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

C12H13NO4 — CID 64603735

IUPAC2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H13NO4/c14-10-3-1-9(2-4-10)12(17)13-6-8(7-13)5-11(15)16/h1-4,8,14H,5-7H2,(H,15,16)
InChIKeyYWWFZAVLGMLUQX-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.94
Rot. Bonds3

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

2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid (PubChem CID 64603735) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
PubChem CID64603735
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H13NO4/c14-10-3-1-9(2-4-10)12(17)13-6-8(7-13)5-11(15)16/h1-4,8,14H,5-7H2,(H,15,16)
InChIKeyYWWFZAVLGMLUQX-UHFFFAOYSA-N
XLogP0.94
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-[4-(aminomethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605014
2-[1-[4-(2-aminoethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605400
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 79411207
2-[1-[4-(difluoromethoxy)benzoyl]azetidin-3-yl]acetic acid
CID 64605420
2-[1-[4-[(carbamoylamino)methyl]benzoyl]azetidin-3-yl]acetic acid
CID 64604965
2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
CID 64604545
2-[1-(3-bromo-4-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 107997929
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid (CID 64603735) is 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid?
The InChIKey is YWWFZAVLGMLUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-10-3-1-9(2-4-10)12(17)13-6-8(7-13)5-11(15)16/h1-4,8,14H,5-7H2,(H,15,16).
What are the key properties of 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid?
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).