2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid

C14H21N3O4 — CID 83178261

IUPAC2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCOC(=O)c1cnc(N(CC(=O)O)CC(C)C)nc1C
InChIInChI=1S/C14H21N3O4/c1-5-21-13(20)11-6-15-14(16-10(11)4)17(7-9(2)3)8-12(18)19/h6,9H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyFJKQATDXZJBVQX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.51
Rot. Bonds7

About 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid

2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 83178261) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID83178261
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCOC(=O)c1cnc(N(CC(=O)O)CC(C)C)nc1C
InChIInChI=1S/C14H21N3O4/c1-5-21-13(20)11-6-15-14(16-10(11)4)17(7-9(2)3)8-12(18)19/h6,9H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyFJKQATDXZJBVQX-UHFFFAOYSA-N
XLogP1.51
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic 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

ethyl 2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83179890
ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
CID 114230720
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
CID 115967591
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
CID 83179670
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid (CID 83178261) is 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid is CCOC(=O)c1cnc(N(CC(=O)O)CC(C)C)nc1C.
What is the InChIKey of 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is FJKQATDXZJBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-5-21-13(20)11-6-15-14(16-10(11)4)17(7-9(2)3)8-12(18)19/h6,9H,5,7-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid?
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 83178261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).