2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid

C15H19NO4 — CID 81318107

IUPAC2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCC1(C(=O)NCc2ccccc2CC(=O)O)CCCO1
InChIInChI=1S/C15H19NO4/c1-15(7-4-8-20-15)14(19)16-10-12-6-3-2-5-11(12)9-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyZGRQVQRIBOECNL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid

2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 81318107) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID81318107
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCC1(C(=O)NCc2ccccc2CC(=O)O)CCCO1
InChIInChI=1S/C15H19NO4/c1-15(7-4-8-20-15)14(19)16-10-12-6-3-2-5-11(12)9-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyZGRQVQRIBOECNL-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[8-[[5-[[(2-methyloxolane-2-carbonyl)amino]methyl]quinolin-8-yl]disulfanyl]quinolin-5-yl]methyl]oxolane-2-carboxamide
CID 90111109
N-[2-(bromomethyl)phenyl]-2-methyloxolane-2-carboxamide
CID 114309752
2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
CID 45184113
(2R)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 125137457
N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyloxolane-2-carboxamide
CID 105059163
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 110267598
2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
CID 119068809
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
CID 115686684
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid (CID 81318107) is 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid is CC1(C(=O)NCc2ccccc2CC(=O)O)CCCO1.
What is the InChIKey of 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is ZGRQVQRIBOECNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(7-4-8-20-15)14(19)16-10-12-6-3-2-5-11(12)9-13(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81318107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).