2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid

C10H17N3O2 — CID 61462644

IUPAC2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cn1cccn1)NCC(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15)6-11-9(2)7-13-5-3-4-12-13/h3-5,8-9,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyRNYQGLAJHOWTIE-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.58
Rot. Bonds6

About 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid

2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid (PubChem CID 61462644) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
PubChem CID61462644
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cn1cccn1)NCC(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15)6-11-9(2)7-13-5-3-4-12-13/h3-5,8-9,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyRNYQGLAJHOWTIE-UHFFFAOYSA-N
XLogP0.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
N-carbamoyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61462815
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
N-cyclopentyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 54951287
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
N-(2-methoxyethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61487655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid (CID 61462644) is 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid is CC(Cn1cccn1)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid?
The InChIKey is RNYQGLAJHOWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(10(14)15)6-11-9(2)7-13-5-3-4-12-13/h3-5,8-9,11H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid?
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid has a molecular weight of 211.27 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 61462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).