2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid

C9H15N3O2 — CID 112713062

IUPAC2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1ncc(C(N)C(=O)O)c1C
InChIInChI=1S/C9H15N3O2/c1-3-4-12-6(2)7(5-11-12)8(10)9(13)14/h5,8H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyVUYKNUHHQQTHJB-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid

2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid (PubChem CID 112713062) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
PubChem CID112713062
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
SMILESCCCn1ncc(C(N)C(=O)O)c1C
InChIInChI=1S/C9H15N3O2/c1-3-4-12-6(2)7(5-11-12)8(10)9(13)14/h5,8H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyVUYKNUHHQQTHJB-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl] ethanethioate
CID 170823304
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
CID 171857292
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-amine
CID 30491833
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid
CID 83891027
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine
CID 124500333
2-amino-2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83832734

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid (CID 112713062) is 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid is CCCn1ncc(C(N)C(=O)O)c1C.
What is the InChIKey of 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid?
The InChIKey is VUYKNUHHQQTHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-12-6(2)7(5-11-12)8(10)9(13)14/h5,8H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid?
2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 112713062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).