(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid

C9H15N3O2 — CID 96758713

IUPAC(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1cc(C[C@H](N)C(=O)O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-6-4-7(12(2)11-6)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyVWEDPOZIOIYUCI-QMMMGPOBSA-N
MW197.24 g/mol
LogP-0.06
Rot. Bonds4

About (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid

(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid (PubChem CID 96758713) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
PubChem CID96758713
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1cc(C[C@H](N)C(=O)O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-6-4-7(12(2)11-6)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyVWEDPOZIOIYUCI-QMMMGPOBSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
CID 83834482
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1,2-bis(3-ethyl-1-methylpyrazol-5-yl)ethylhydrazine
CID 105317064
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid (CID 96758713) is (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid is CCc1cc(C[C@H](N)C(=O)O)n(C)n1.
What is the InChIKey of (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The InChIKey is VWEDPOZIOIYUCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6-4-7(12(2)11-6)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 96758713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).