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

C14H26N2O4 — CID 62049062

IUPAC4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H26N2O4/c1-14(2,8-6-12(18)19)15-13(20)16-9-4-3-5-11(16)7-10-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyROOFCDXRCHYTKP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds6

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

4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 62049062) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID62049062
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H26N2O4/c1-14(2,8-6-12(18)19)15-13(20)16-9-4-3-5-11(16)7-10-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyROOFCDXRCHYTKP-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61191605
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
4-[2-(1-acetylpiperidin-2-yl)ethylsulfonylamino]-4-methylpentanoic acid
CID 122068734
5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 55156728
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
CID 62047614

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 62049062) is 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)N1CCCCC1CCO.
What is the InChIKey of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is ROOFCDXRCHYTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,8-6-12(18)19)15-13(20)16-9-4-3-5-11(16)7-10-17/h11,17H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62049062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).