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

C11H18N4O3 — CID 79800954

IUPAC2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCCn1cc(NC(=O)NC(C)(CC)C(=O)O)cn1
InChIInChI=1S/C11H18N4O3/c1-4-11(3,9(16)17)14-10(18)13-8-6-12-15(5-2)7-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyYWWPOTLEVGRSGS-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.28
Rot. Bonds5

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

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79800954) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79800954
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCCn1cc(NC(=O)NC(C)(CC)C(=O)O)cn1
InChIInChI=1S/C11H18N4O3/c1-4-11(3,9(16)17)14-10(18)13-8-6-12-15(5-2)7-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyYWWPOTLEVGRSGS-UHFFFAOYSA-N
XLogP1.28
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801031
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid (CID 79800954) is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid is CCn1cc(NC(=O)NC(C)(CC)C(=O)O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is YWWPOTLEVGRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-11(3,9(16)17)14-10(18)13-8-6-12-15(5-2)7-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid?
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79800954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).