3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid

C11H18N4O4 — CID 106215570

IUPAC3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
SMILESCOC(CNC(=O)NC(C)c1cn[nH]c1)CC(=O)O
InChIInChI=1S/C11H18N4O4/c1-7(8-4-13-14-5-8)15-11(18)12-6-9(19-2)3-10(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,13,14)(H,16,17)(H2,12,15,18)
InChIKeyDNVWJODWBROADJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.26
Rot. Bonds7

About 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid

3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 106215570) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
PubChem CID106215570
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
SMILESCOC(CNC(=O)NC(C)c1cn[nH]c1)CC(=O)O
InChIInChI=1S/C11H18N4O4/c1-7(8-4-13-14-5-8)15-11(18)12-6-9(19-2)3-10(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,13,14)(H,16,17)(H2,12,15,18)
InChIKeyDNVWJODWBROADJ-UHFFFAOYSA-N
XLogP0.26
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 114168133
4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106215800
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106215471
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid (CID 106215570) is 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid is COC(CNC(=O)NC(C)c1cn[nH]c1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is DNVWJODWBROADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7(8-4-13-14-5-8)15-11(18)12-6-9(19-2)3-10(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,13,14)(H,16,17)(H2,12,15,18).
What are the key properties of 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid?
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106215570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).