4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid

C15H28N2O4 — CID 107228340

IUPAC4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H28N2O4/c1-12(2)17(9-4-6-14(19)20)15(21)16-8-3-5-13(11-16)7-10-18/h12-13,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyABVXLAUVTYNWOY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.78
Rot. Bonds7

About 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid

4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid (PubChem CID 107228340) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
PubChem CID107228340
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H28N2O4/c1-12(2)17(9-4-6-14(19)20)15(21)16-8-3-5-13(11-16)7-10-18/h12-13,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyABVXLAUVTYNWOY-UHFFFAOYSA-N
XLogP1.78
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid with MolForge

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Related Compounds

3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
CID 106587984
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107228199
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189226
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid (CID 107228340) is 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N1CCCC(CCO)C1.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The InChIKey is ABVXLAUVTYNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(2)17(9-4-6-14(19)20)15(21)16-8-3-5-13(11-16)7-10-18/h12-13,18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 107228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).