3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid

C14H24N4O3 — CID 106106032

IUPAC3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCn1ccc(CCNC(=O)N(CCC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)18(10-7-12(19)20)13(21)15-8-5-11-6-9-17(4)16-11/h6,9H,5,7-8,10H2,1-4H3,(H,15,21)(H,19,20)
InChIKeyJSNTYHKLYIKBBD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.25
Rot. Bonds6

About 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid

3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106106032) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106106032
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCn1ccc(CCNC(=O)N(CCC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)18(10-7-12(19)20)13(21)15-8-5-11-6-9-17(4)16-11/h6,9H,5,7-8,10H2,1-4H3,(H,15,21)(H,19,20)
InChIKeyJSNTYHKLYIKBBD-UHFFFAOYSA-N
XLogP1.25
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl-prop-2-ynylamino]acetic acid
CID 106105900
2,2-dimethyl-3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 114144062
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
3-[tert-butyl-[2-(dimethylamino)ethylcarbamoyl]amino]propanoic acid
CID 61189216

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid (CID 106106032) is 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid is Cn1ccc(CCNC(=O)N(CCC(=O)O)C(C)(C)C)n1.
What is the InChIKey of 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is JSNTYHKLYIKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)18(10-7-12(19)20)13(21)15-8-5-11-6-9-17(4)16-11/h6,9H,5,7-8,10H2,1-4H3,(H,15,21)(H,19,20).
What are the key properties of 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106106032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).