3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid

C14H26N2O4 — CID 106836851

IUPAC3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H26N2O4/c1-9(2)12(8-13(18)19)15-14(20)16-6-4-11(5-7-16)10(3)17/h9-12,17H,4-8H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYUWLCHLPWBLUFZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds5

About 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid

3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 106836851) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID106836851
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C14H26N2O4/c1-9(2)12(8-13(18)19)15-14(20)16-6-4-11(5-7-16)10(3)17/h9-12,17H,4-8H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYUWLCHLPWBLUFZ-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

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Related Compounds

3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 106836851) is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is YUWLCHLPWBLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)12(8-13(18)19)15-14(20)16-6-4-11(5-7-16)10(3)17/h9-12,17H,4-8H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic 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 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 106836851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).