methyl 3-(1-methoxypropan-2-ylamino)benzoate

C12H17NO3 — CID 62536226

IUPACmethyl 3-(1-methoxypropan-2-ylamino)benzoate
SMILESCOCC(C)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-9(8-15-2)13-11-6-4-5-10(7-11)12(14)16-3/h4-7,9,13H,8H2,1-3H3
InChIKeyQIAJUCXAZGJJTI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-(1-methoxypropan-2-ylamino)benzoate

methyl 3-(1-methoxypropan-2-ylamino)benzoate (PubChem CID 62536226) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-(1-methoxypropan-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(1-methoxypropan-2-ylamino)benzoate
PubChem CID62536226
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-(1-methoxypropan-2-ylamino)benzoate
SMILESCOCC(C)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-9(8-15-2)13-11-6-4-5-10(7-11)12(14)16-3/h4-7,9,13H,8H2,1-3H3
InChIKeyQIAJUCXAZGJJTI-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1-methoxypropan-2-ylamino)benzoate 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

methyl 3-[[(2S)-1-aminopropan-2-yl]amino]benzoate
CID 178109446
methyl 3-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321744
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082
methyl 3-[[4-(2-ethylanilino)-4-oxobutan-2-yl]amino]benzoate
CID 75476806
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
methyl 3-(propan-2-ylsulfanylamino)benzoate
CID 142991719
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
2-anilinopropyl 3-hydroxybenzoate
CID 15535543
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxypropan-2-ylamino)benzoate?
The IUPAC name of methyl 3-(1-methoxypropan-2-ylamino)benzoate (CID 62536226) is methyl 3-(1-methoxypropan-2-ylamino)benzoate.
What is the SMILES notation for methyl 3-(1-methoxypropan-2-ylamino)benzoate?
The canonical SMILES for methyl 3-(1-methoxypropan-2-ylamino)benzoate is COCC(C)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(1-methoxypropan-2-ylamino)benzoate?
The InChIKey is QIAJUCXAZGJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(8-15-2)13-11-6-4-5-10(7-11)12(14)16-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of methyl 3-(1-methoxypropan-2-ylamino)benzoate?
methyl 3-(1-methoxypropan-2-ylamino)benzoate has a molecular weight of 223.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxypropan-2-ylamino)benzoate is sourced from PubChem (CID 62536226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).