2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid

C14H26N2O4 — CID 107228226

IUPAC2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-14(2,12(18)19)10-15-13(20)16-7-4-5-11(9-16)6-8-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVVPGCZYPPJGGML-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds6

About 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid

2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid (PubChem CID 107228226) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
PubChem CID107228226
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-14(2,12(18)19)10-15-13(20)16-7-4-5-11(9-16)6-8-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVVPGCZYPPJGGML-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 106836780
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 107405577
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid (CID 107228226) is 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)N1CCCC(CCO)C1)C(=O)O.
What is the InChIKey of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
The InChIKey is VVPGCZYPPJGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-14(2,12(18)19)10-15-13(20)16-7-4-5-11(9-16)6-8-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid?
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 107228226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).