2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid

C9H15N3O2 — CID 64772542

IUPAC2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCC(C)n1ccc(CC(N)C(=O)O)n1
InChIInChI=1S/C9H15N3O2/c1-6(2)12-4-3-7(11-12)5-8(10)9(13)14/h3-4,6,8H,5,10H2,1-2H3,(H,13,14)
InChIKeyQNODNSUUCYQKND-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.42
Rot. Bonds4

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

2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid (PubChem CID 64772542) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
PubChem CID64772542
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCC(C)n1ccc(CC(N)C(=O)O)n1
InChIInChI=1S/C9H15N3O2/c1-6(2)12-4-3-7(11-12)5-8(10)9(13)14/h3-4,6,8H,5,10H2,1-2H3,(H,13,14)
InChIKeyQNODNSUUCYQKND-UHFFFAOYSA-N
XLogP0.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
CID 64771244
2-[(4-chlorophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64771687
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid (CID 64772542) is 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid is CC(C)n1ccc(CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid?
The InChIKey is QNODNSUUCYQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)12-4-3-7(11-12)5-8(10)9(13)14/h3-4,6,8H,5,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid?
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 64772542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).