2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid

C12H17N3O4 — CID 55142287

IUPAC2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
SMILESCOc1cc(CNC(=O)NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-12(2,10(16)17)15-11(18)14-7-8-4-5-13-9(6-8)19-3/h4-6H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIQHXQVMFRGNCMY-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.75
Rot. Bonds5

About 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid

2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 55142287) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
PubChem CID55142287
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
SMILESCOc1cc(CNC(=O)NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-12(2,10(16)17)15-11(18)14-7-8-4-5-13-9(6-8)19-3/h4-6H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIQHXQVMFRGNCMY-UHFFFAOYSA-N
XLogP0.75
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic 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

2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446789
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 62997542
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid (CID 55142287) is 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid is COc1cc(CNC(=O)NC(C)(C)C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is IQHXQVMFRGNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,10(16)17)15-11(18)14-7-8-4-5-13-9(6-8)19-3/h4-6H,7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid?
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55142287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).