2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid

C10H16N4O4 — CID 81084939

IUPAC2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
SMILESCCn1cc(NC(=O)NC(COC)C(=O)O)cn1
InChIInChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(17)13-8(6-18-2)9(15)16/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyALFUXMBXYAWSFJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.12
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81084939) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81084939
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
SMILESCCn1cc(NC(=O)NC(COC)C(=O)O)cn1
InChIInChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(17)13-8(6-18-2)9(15)16/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyALFUXMBXYAWSFJ-UHFFFAOYSA-N
XLogP0.12
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid (CID 81084939) is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid is CCn1cc(NC(=O)NC(COC)C(=O)O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is ALFUXMBXYAWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(17)13-8(6-18-2)9(15)16/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid?
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81084939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).