2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid

C15H20N2O4 — CID 65345726

IUPAC2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCN(C(=O)Nc1cccc(CC(=O)O)c1)C1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-17(13-5-7-21-8-6-13)15(20)16-12-4-2-3-11(9-12)10-14(18)19/h2-4,9,13H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeySOCLJTSZYAIASD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.96
Rot. Bonds4

About 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid

2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 65345726) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
PubChem CID65345726
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCN(C(=O)Nc1cccc(CC(=O)O)c1)C1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-17(13-5-7-21-8-6-13)15(20)16-12-4-2-3-11(9-12)10-14(18)19/h2-4,9,13H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeySOCLJTSZYAIASD-UHFFFAOYSA-N
XLogP1.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic 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

2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
2-chloro-5-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61202978
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
2-[3-[[(5-bromofuran-2-carbonyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 21444937
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid (CID 65345726) is 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid is CN(C(=O)Nc1cccc(CC(=O)O)c1)C1CCOCC1.
What is the InChIKey of 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is SOCLJTSZYAIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(13-5-7-21-8-6-13)15(20)16-12-4-2-3-11(9-12)10-14(18)19/h2-4,9,13H,5-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid?
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65345726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).