2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H24N2O4 — CID 81115479

IUPAC2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-15(9-11(16)17)12(18)14-6-4-13(3,19)5-7-14/h10,19H,4-9H2,1-3H3,(H,16,17)
InChIKeyASDRWVUVLKYFFT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds4

About 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 81115479) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID81115479
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H24N2O4/c1-10(2)8-15(9-11(16)17)12(18)14-6-4-13(3,19)5-7-14/h10,19H,4-9H2,1-3H3,(H,16,17)
InChIKeyASDRWVUVLKYFFT-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81116489
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064386
2-[2-methylpropyl-(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]acetic acid
CID 102744971
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 163257337
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 82016011
1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146947
2-[carboxymethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457557

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 81115479) is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ASDRWVUVLKYFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)8-15(9-11(16)17)12(18)14-6-4-13(3,19)5-7-14/h10,19H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 81115479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).