2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

C13H24N2O4 — CID 61407553

IUPAC2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCCCC1CO
InChIInChI=1S/C13H24N2O4/c1-3-10(2)15(8-12(17)18)13(19)14-7-5-4-6-11(14)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyZMFHEWASHJCONE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds5

About 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 61407553) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID61407553
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCCCC1CO
InChIInChI=1S/C13H24N2O4/c1-3-10(2)15(8-12(17)18)13(19)14-7-5-4-6-11(14)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyZMFHEWASHJCONE-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79256836
3-[2-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897379
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284254
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834213
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (CID 61407553) is 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1CCCCC1CO.
What is the InChIKey of 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is ZMFHEWASHJCONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-10(2)15(8-12(17)18)13(19)14-7-5-4-6-11(14)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 61407553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).