4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

C11H18N4O3 — CID 82872604

IUPAC4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-14(6-3-4-10(16)17)11(18)12-8-9-5-7-15(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyKRHAYBQUCMSVAD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.43
Rot. Bonds6

About 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid

4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 82872604) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID82872604
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-14(6-3-4-10(16)17)11(18)12-8-9-5-7-15(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyKRHAYBQUCMSVAD-UHFFFAOYSA-N
XLogP0.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
CID 82873833
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
CID 19620319
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid (CID 82872604) is 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCc1ccn(C)n1.
What is the InChIKey of 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is KRHAYBQUCMSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14(6-3-4-10(16)17)11(18)12-8-9-5-7-15(2)13-9/h5,7H,3-4,6,8H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid?
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 82872604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).