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

C11H18N4O4 — CID 103158622

IUPAC4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCn1cc(NC(=O)NCC(CC(=O)O)OC)cn1
InChIInChI=1S/C11H18N4O4/c1-3-15-7-8(5-13-15)14-11(18)12-6-9(19-2)4-10(16)17/h5,7,9H,3-4,6H2,1-2H3,(H,16,17)(H2,12,14,18)
InChIKeyYVMNVEFKYZFXOR-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.51
Rot. Bonds7

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

4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103158622) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103158622
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCn1cc(NC(=O)NCC(CC(=O)O)OC)cn1
InChIInChI=1S/C11H18N4O4/c1-3-15-7-8(5-13-15)14-11(18)12-6-9(19-2)4-10(16)17/h5,7,9H,3-4,6H2,1-2H3,(H,16,17)(H2,12,14,18)
InChIKeyYVMNVEFKYZFXOR-UHFFFAOYSA-N
XLogP0.51
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
3-methoxy-4-[(4-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 103158329
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158478
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid (CID 103158622) is 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid is CCn1cc(NC(=O)NCC(CC(=O)O)OC)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is YVMNVEFKYZFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-15-7-8(5-13-15)14-11(18)12-6-9(19-2)4-10(16)17/h5,7,9H,3-4,6H2,1-2H3,(H,16,17)(H2,12,14,18).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid?
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).