2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid

C13H15NO4 — CID 104855642

IUPAC2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H15NO4/c15-12(16)8-9-4-1-2-5-10(9)14-13(17)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyYKRTZCJRJLXAOB-NSHDSACASA-N
MW249.27 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid

2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 104855642) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
PubChem CID104855642
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H15NO4/c15-12(16)8-9-4-1-2-5-10(9)14-13(17)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyYKRTZCJRJLXAOB-NSHDSACASA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-phenyloxolane-2-carboxamide
CID 3453643
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
CID 2973789
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid (CID 104855642) is 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is YKRTZCJRJLXAOB-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)8-9-4-1-2-5-10(9)14-13(17)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H,14,17)(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid?
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 104855642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).