2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid

C14H18N2O5 — CID 107209471

IUPAC2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)NCC2CCOC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-20-12-6-10(2-3-11(12)13(17)18)16-14(19)15-7-9-4-5-21-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyABAZORUKYYOMIV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.55
Rot. Bonds5

About 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid

2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid (PubChem CID 107209471) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
PubChem CID107209471
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
SMILESCOc1cc(NC(=O)NCC2CCOC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-20-12-6-10(2-3-11(12)13(17)18)16-14(19)15-7-9-4-5-21-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyABAZORUKYYOMIV-UHFFFAOYSA-N
XLogP1.55
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic 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

1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858
2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
CID 125161688
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid (CID 107209471) is 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid is COc1cc(NC(=O)NCC2CCOC2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is ABAZORUKYYOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-12-6-10(2-3-11(12)13(17)18)16-14(19)15-7-9-4-5-21-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid?
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 107209471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).