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

C11H18N4O3 — CID 113441207

IUPAC2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(10(16)17)4-3-6-12-11(18)13-9-5-7-15(2)14-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyCUKXDFLMRCHWEW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.04
Rot. Bonds6

About 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid

2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (PubChem CID 113441207) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
PubChem CID113441207
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(10(16)17)4-3-6-12-11(18)13-9-5-7-15(2)14-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)(H2,12,13,14,18)
InChIKeyCUKXDFLMRCHWEW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid (CID 113441207) is 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is CC(CCCNC(=O)Nc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is CUKXDFLMRCHWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(10(16)17)4-3-6-12-11(18)13-9-5-7-15(2)14-9/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)(H2,12,13,14,18).
What are the key properties of 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid?
2-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 2-methyl-5-[(1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 113441207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).