2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid

C12H15NO4 — CID 84798459

IUPAC2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)cc1OCC1CC1
InChIInChI=1S/C12H15NO4/c1-16-10-4-8(12(14)15)9(13)5-11(10)17-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyDRTFTHZQJUZVCB-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid

2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid (PubChem CID 84798459) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
PubChem CID84798459
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)cc1OCC1CC1
InChIInChI=1S/C12H15NO4/c1-16-10-4-8(12(14)15)9(13)5-11(10)17-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyDRTFTHZQJUZVCB-UHFFFAOYSA-N
XLogP1.76
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
2-amino-5-(2,2-difluoroethoxy)-4-methoxybenzoic acid
CID 54939430
2-amino-4-methoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 43380092
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
5-(cyclohexylmethoxy)-4-methoxy-2-(prop-2-enoylamino)benzoic acid
CID 170331971
2-amino-5-[3-(dimethylamino)-3-oxopropoxy]-4-methoxybenzoic acid
CID 60961608
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860
5-methoxy-2-nitro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61313828

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid?
The IUPAC name of 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid (CID 84798459) is 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid.
What is the SMILES notation for 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid?
The canonical SMILES for 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid is COc1cc(C(=O)O)c(N)cc1OCC1CC1.
What is the InChIKey of 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid?
The InChIKey is DRTFTHZQJUZVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-10-4-8(12(14)15)9(13)5-11(10)17-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid?
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid is sourced from PubChem (CID 84798459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).