4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid

C14H24N4O3 — CID 62048003

IUPAC4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H24N4O3/c1-10-11(9-16-18-10)5-4-8-15-13(21)17-14(2,3)7-6-12(19)20/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyLFGRNIUYZJBEKS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds8

About 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid

4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid (PubChem CID 62048003) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
PubChem CID62048003
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
SMILESCc1[nH]ncc1CCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H24N4O3/c1-10-11(9-16-18-10)5-4-8-15-13(21)17-14(2,3)7-6-12(19)20/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyLFGRNIUYZJBEKS-UHFFFAOYSA-N
XLogP1.59
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
CID 62039653
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 111470868
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid (CID 62048003) is 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid is Cc1[nH]ncc1CCCNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid?
The InChIKey is LFGRNIUYZJBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10-11(9-16-18-10)5-4-8-15-13(21)17-14(2,3)7-6-12(19)20/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid?
4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 62048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).