(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O4 — CID 107228211

IUPAC(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-7-4-5-10(9-16)6-8-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m0/s1
InChIKeyJDGZELNJCIUKGR-DTIOYNMSSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds4

About (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 107228211) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID107228211
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-7-4-5-10(9-16)6-8-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m0/s1
InChIKeyJDGZELNJCIUKGR-DTIOYNMSSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61191605
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 107228226
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (CID 107228211) is (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)N1CCCC(CCO)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is JDGZELNJCIUKGR-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-7-4-5-10(9-16)6-8-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 107228211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).