2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid

C15H19NO5 — CID 125153443

IUPAC2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-13-3-2-10(6-12(13)15(18)19)8-16-14(17)7-11-4-5-21-9-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyUOYCQNVNLOUXRH-NSHDSACASA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds6

About 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid

2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid (PubChem CID 125153443) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
PubChem CID125153443
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-13-3-2-10(6-12(13)15(18)19)8-16-14(17)7-11-4-5-21-9-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyUOYCQNVNLOUXRH-NSHDSACASA-N
XLogP1.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]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

2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125153535
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
methyl 5-[[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-2-methoxybenzoate
CID 98315209
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid (CID 125153443) is 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid is COc1ccc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid?
The InChIKey is UOYCQNVNLOUXRH-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-13-3-2-10(6-12(13)15(18)19)8-16-14(17)7-11-4-5-21-9-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid?
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 125153443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).