3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid

C12H20N4O4 — CID 115428582

IUPAC3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCOCCn1cc(NC(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O4/c1-12(2,10(17)18)8-13-11(19)15-9-6-14-16(7-9)4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,17,18)(H2,13,15,19)
InChIKeyNQKSZJMFYRYXLO-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.76
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid

3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid (PubChem CID 115428582) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
PubChem CID115428582
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCOCCn1cc(NC(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O4/c1-12(2,10(17)18)8-13-11(19)15-9-6-14-16(7-9)4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,17,18)(H2,13,15,19)
InChIKeyNQKSZJMFYRYXLO-UHFFFAOYSA-N
XLogP0.76
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic 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

(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea
CID 71857033
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 94031186
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94095897
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732
1-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95784443

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid (CID 115428582) is 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid is COCCn1cc(NC(=O)NCC(C)(C)C(=O)O)cn1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is NQKSZJMFYRYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2,10(17)18)8-13-11(19)15-9-6-14-16(7-9)4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,17,18)(H2,13,15,19).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid?
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).