4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid

C11H18N4O3 — CID 82689523

IUPAC4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-8(3-4-10(16)17)7-12-11(18)13-9-5-6-15(2)14-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyZBFBWBZWEVNFMN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.04
Rot. Bonds6

About 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid

4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (PubChem CID 82689523) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
PubChem CID82689523
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H18N4O3/c1-8(3-4-10(16)17)7-12-11(18)13-9-5-6-15(2)14-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyZBFBWBZWEVNFMN-UHFFFAOYSA-N
XLogP1.04
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (CID 82689523) is 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is CC(CCC(=O)O)CNC(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is ZBFBWBZWEVNFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(3-4-10(16)17)7-12-11(18)13-9-5-6-15(2)14-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H2,12,13,14,18).
What are the key properties of 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 82689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).