2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid

C13H17NO5 — CID 43380107

IUPAC2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
SMILESCOc1cc(N)c(C(=O)O)cc1OCC1CCCO1
InChIInChI=1S/C13H17NO5/c1-17-11-6-10(14)9(13(15)16)5-12(11)19-7-8-3-2-4-18-8/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyRNUFVPKYRJHETK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid

2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid (PubChem CID 43380107) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
PubChem CID43380107
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
SMILESCOc1cc(N)c(C(=O)O)cc1OCC1CCCO1
InChIInChI=1S/C13H17NO5/c1-17-11-6-10(14)9(13(15)16)5-12(11)19-7-8-3-2-4-18-8/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyRNUFVPKYRJHETK-UHFFFAOYSA-N
XLogP1.53
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid (CID 43380107) is 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid is COc1cc(N)c(C(=O)O)cc1OCC1CCCO1.
What is the InChIKey of 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid?
The InChIKey is RNUFVPKYRJHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-11-6-10(14)9(13(15)16)5-12(11)19-7-8-3-2-4-18-8/h5-6,8H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid?
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 43380107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).