2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid

C13H23N3O2 — CID 103004839

IUPAC2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
SMILESCn1nccc1CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-12(2,11(17)18)13(3,4)14-8-6-10-7-9-15-16(10)5/h7,9,14H,6,8H2,1-5H3,(H,17,18)
InChIKeyUXUNTSKHORGIFQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.44
Rot. Bonds6

About 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid

2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid (PubChem CID 103004839) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
PubChem CID103004839
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
SMILESCn1nccc1CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-12(2,11(17)18)13(3,4)14-8-6-10-7-9-15-16(10)5/h7,9,14H,6,8H2,1-5H3,(H,17,18)
InChIKeyUXUNTSKHORGIFQ-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid (CID 103004839) is 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid is Cn1nccc1CCNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid?
The InChIKey is UXUNTSKHORGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,11(17)18)13(3,4)14-8-6-10-7-9-15-16(10)5/h7,9,14H,6,8H2,1-5H3,(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid?
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid is sourced from PubChem (CID 103004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).