2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid

C9H11N3O2 — CID 84772644

IUPAC2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
SMILESC#CCn1cc(CC(N)C(=O)O)cn1
InChIInChI=1S/C9H11N3O2/c1-2-3-12-6-7(5-11-12)4-8(10)9(13)14/h1,5-6,8H,3-4,10H2,(H,13,14)
InChIKeyMUPSZEMUUSPLBQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.53
Rot. Bonds4

About 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid

2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid (PubChem CID 84772644) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
PubChem CID84772644
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
SMILESC#CCn1cc(CC(N)C(=O)O)cn1
InChIInChI=1S/C9H11N3O2/c1-2-3-12-6-7(5-11-12)4-8(10)9(13)14/h1,5-6,8H,3-4,10H2,(H,13,14)
InChIKeyMUPSZEMUUSPLBQ-UHFFFAOYSA-N
XLogP-0.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84767566
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
(2S)-2-amino-3-(4-prop-2-ynylphenyl)propanoic acid
CID 87081266
(1-prop-2-ynylpyrazol-4-yl)methanesulfonyl chloride
CID 84786429
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
3-amino-3-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
CID 84767896
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate
CID 83440945
(2S)-2-amino-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
CID 172529904
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate;dihydrochloride
CID 132585364
2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
CID 83843207
N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]sulfamoyl fluoride
CID 146094317
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid (CID 84772644) is 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid is C#CCn1cc(CC(N)C(=O)O)cn1.
What is the InChIKey of 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid?
The InChIKey is MUPSZEMUUSPLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-3-12-6-7(5-11-12)4-8(10)9(13)14/h1,5-6,8H,3-4,10H2,(H,13,14).
What are the key properties of 2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid?
2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid has a molecular weight of 193.21 g/mol, XLogP of -0.53, 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-prop-2-ynylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 84772644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).