3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid

C12H20N4O3 — CID 62039653

IUPAC3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
SMILESCc1[nH]ncc1CCCNC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H20N4O3/c1-9-10(8-14-15-9)4-3-6-13-12(19)16(2)7-5-11(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyFWWGXIZTVSINNE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.77
Rot. Bonds7

About 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid

3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid (PubChem CID 62039653) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
PubChem CID62039653
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
SMILESCc1[nH]ncc1CCCNC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H20N4O3/c1-9-10(8-14-15-9)4-3-6-13-12(19)16(2)7-5-11(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyFWWGXIZTVSINNE-UHFFFAOYSA-N
XLogP0.77
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79283538
4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
CID 62048003
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
3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62852861
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 95152090
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid (CID 62039653) is 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid is Cc1[nH]ncc1CCCNC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid?
The InChIKey is FWWGXIZTVSINNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9-10(8-14-15-9)4-3-6-13-12(19)16(2)7-5-11(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid?
3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 62039653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).