2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid

C13H22N4O3 — CID 103995728

IUPAC2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H22N4O3/c1-11(2)9-16(10-12(18)19)13(20)14-5-3-7-17-8-4-6-15-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyUSLMCOZOUPGRMZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.03
Rot. Bonds8

About 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid

2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid (PubChem CID 103995728) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
PubChem CID103995728
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H22N4O3/c1-11(2)9-16(10-12(18)19)13(20)14-5-3-7-17-8-4-6-15-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyUSLMCOZOUPGRMZ-UHFFFAOYSA-N
XLogP1.03
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60500518
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[3-imidazol-1-ylpropylcarbamoyl(propyl)amino]acetic acid
CID 61184302

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid (CID 103995728) is 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCCCn1cccn1.
What is the InChIKey of 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid?
The InChIKey is USLMCOZOUPGRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-11(2)9-16(10-12(18)19)13(20)14-5-3-7-17-8-4-6-15-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid?
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 103995728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).