2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid

C14H26N2O4 — CID 106836780

IUPAC2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-14(3,12(18)19)9-15-13(20)16-7-5-11(6-8-16)10(2)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyMYSCAAQDUICTBL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds5

About 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid

2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid (PubChem CID 106836780) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
PubChem CID106836780
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-14(3,12(18)19)9-15-13(20)16-7-5-11(6-8-16)10(2)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyMYSCAAQDUICTBL-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid with MolForge

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Related Compounds

4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 107228226
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 107405577
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 111438886
2-[[(2-ethylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 104691013
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid (CID 106836780) is 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O.
What is the InChIKey of 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The InChIKey is MYSCAAQDUICTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-14(3,12(18)19)9-15-13(20)16-7-5-11(6-8-16)10(2)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 106836780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).