2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid

C13H24N2O4 — CID 102961951

IUPAC2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C13H24N2O4/c1-4-10(3)15(8-12(17)18)13(19)14-6-5-9(2)11(16)7-14/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyVBGJHOYJWPBEEB-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.99
Rot. Bonds4

About 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid

2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 102961951) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID102961951
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C13H24N2O4/c1-4-10(3)15(8-12(17)18)13(19)14-6-5-9(2)11(16)7-14/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyVBGJHOYJWPBEEB-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835
2-[butan-2-yl-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626820
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
2-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl(butan-2-yl)amino]acetic acid
CID 79943366
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
CID 63769474
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
CID 62776812
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid (CID 102961951) is 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is VBGJHOYJWPBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-10(3)15(8-12(17)18)13(19)14-6-5-9(2)11(16)7-14/h9-11,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid?
2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 102961951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).