2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid

C10H17N3O3 — CID 106104661

IUPAC2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
SMILESCn1ccc(CCNCC(C)(O)C(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-10(16,9(14)15)7-11-5-3-8-4-6-13(2)12-8/h4,6,11,16H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyXGLNXQCECWCZHT-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.61
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid

2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid (PubChem CID 106104661) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
PubChem CID106104661
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
SMILESCn1ccc(CCNCC(C)(O)C(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-10(16,9(14)15)7-11-5-3-8-4-6-13(2)12-8/h4,6,11,16H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyXGLNXQCECWCZHT-UHFFFAOYSA-N
XLogP-0.61
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
2,2-dimethyl-3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 114144062
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]benzoic acid
CID 114144038
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
(E)-3-[2-(1-methylpyrazol-3-yl)ethylamino]prop-2-enoic acid
CID 106105572
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid (CID 106104661) is 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid is Cn1ccc(CCNCC(C)(O)C(=O)O)n1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid?
The InChIKey is XGLNXQCECWCZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(16,9(14)15)7-11-5-3-8-4-6-13(2)12-8/h4,6,11,16H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid?
2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106104661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).