2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid

C13H24N2O4 — CID 102783156

IUPAC2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
SMILESCC1CCN(C(=O)N(CC(=O)O)C(C)(C)C)C1CO
InChIInChI=1S/C13H24N2O4/c1-9-5-6-14(10(9)8-16)12(19)15(7-11(17)18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyJRHNTPNBPDQPGK-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.99
Rot. Bonds3

About 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid

2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid (PubChem CID 102783156) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
PubChem CID102783156
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
SMILESCC1CCN(C(=O)N(CC(=O)O)C(C)(C)C)C1CO
InChIInChI=1S/C13H24N2O4/c1-9-5-6-14(10(9)8-16)12(19)15(7-11(17)18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyJRHNTPNBPDQPGK-UHFFFAOYSA-N
XLogP0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
CID 102783342
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79256836
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetohydrazide
CID 102784332
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid (CID 102783156) is 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid is CC1CCN(C(=O)N(CC(=O)O)C(C)(C)C)C1CO.
What is the InChIKey of 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The InChIKey is JRHNTPNBPDQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-5-6-14(10(9)8-16)12(19)15(7-11(17)18)13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 102783156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).