3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid

C10H16N4O4 — CID 106109747

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(17)11-4-7(18-3)9(15)16/h7H,4H2,1-3H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyNVGLCNVIFJAYIA-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.25
Rot. Bonds5

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid

3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid (PubChem CID 106109747) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid
PubChem CID106109747
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(17)11-4-7(18-3)9(15)16/h7H,4H2,1-3H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyNVGLCNVIFJAYIA-UHFFFAOYSA-N
XLogP0.25
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]acetate
CID 43547798
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007853
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]propanoic acid
CID 61200750
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201311
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 61201496
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]propanoic acid
CID 61201872
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-methylamino]propanoic acid
CID 61202061
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 61202432
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-ethylamino]propanoic acid
CID 61202435
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]propanoic acid
CID 61202437
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 61203007
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]butanoic acid
CID 61203376

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid (CID 106109747) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)Nc1c(C)n[nH]c1C)C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is NVGLCNVIFJAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(17)11-4-7(18-3)9(15)16/h7H,4H2,1-3H3,(H,13,14)(H,15,16)(H2,11,12,17).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).