3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid

C14H21N3O4 — CID 106110338

IUPAC3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(Cc1cccc(C)n1)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-17(9-11-7-5-6-10(2)16-11)14(20)15-8-12(21-3)13(18)19/h5-7,12H,4,8-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyXFGNULFQAIJKPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.02
Rot. Bonds7

About 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid

3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106110338) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106110338
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(Cc1cccc(C)n1)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-17(9-11-7-5-6-10(2)16-11)14(20)15-8-12(21-3)13(18)19/h5-7,12H,4,8-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyXFGNULFQAIJKPW-UHFFFAOYSA-N
XLogP1.02
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic 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

(2S)-3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-hydroxypropanoic acid
CID 107840515
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81155694
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-propan-2-ylthiourea
CID 113254044
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
1-benzyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-methylsulfanylpropyl)urea
CID 119073642

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid (CID 106110338) is 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid is CCN(Cc1cccc(C)n1)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is XFGNULFQAIJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-17(9-11-7-5-6-10(2)16-11)14(20)15-8-12(21-3)13(18)19/h5-7,12H,4,8-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid?
3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).