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

C14H26N2O4 — CID 61191605

IUPAC(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)N1CCCCC1CCO)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-8-5-4-6-10(16)7-9-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m1/s1
InChIKeyUDUGDGSZUKRCPL-RRKGBCIJSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds4

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

(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 61191605) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID61191605
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)N1CCCCC1CCO)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-8-5-4-6-10(16)7-9-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m1/s1
InChIKeyUDUGDGSZUKRCPL-RRKGBCIJSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 62887648
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
CID 61191277
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
(2R)-2-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 107228211
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62049062
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid (CID 61191605) is (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)N1CCCCC1CCO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is UDUGDGSZUKRCPL-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)11(12(18)19)15-13(20)16-8-5-4-6-10(16)7-9-17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t10?,11-/m1/s1.
What are the key properties of (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61191605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).