4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid

C10H17N3O2 — CID 83835021

IUPAC4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
SMILESCC(C)n1cc(C(CN)CC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-7(2)13-6-9(5-12-13)8(4-11)3-10(14)15/h5-8H,3-4,11H2,1-2H3,(H,14,15)
InChIKeyXYTYBTMASQLJPV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds5

About 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid

4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid (PubChem CID 83835021) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
PubChem CID83835021
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
SMILESCC(C)n1cc(C(CN)CC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-7(2)13-6-9(5-12-13)8(4-11)3-10(14)15/h5-8H,3-4,11H2,1-2H3,(H,14,15)
InChIKeyXYTYBTMASQLJPV-UHFFFAOYSA-N
XLogP0.98
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylpyrazol-1-yl)butanoic acid
CID 112545791
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075736
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
CID 84680612
2-[2-(dimethylamino)ethylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075692

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid?
The IUPAC name of 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid (CID 83835021) is 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid is CC(C)n1cc(C(CN)CC(=O)O)cn1.
What is the InChIKey of 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid?
The InChIKey is XYTYBTMASQLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-6-9(5-12-13)8(4-11)3-10(14)15/h5-8H,3-4,11H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid?
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 83835021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).