2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid

C13H24N2O5 — CID 82691048

IUPAC2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(2)11(12(17)18)14-13(19)15-5-3-10(4-6-15)20-8-7-16/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPFZMGHPGPGSUOO-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds6

About 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid

2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 82691048) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
PubChem CID82691048
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N1CCC(OCCO)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(2)11(12(17)18)14-13(19)15-5-3-10(4-6-15)20-8-7-16/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPFZMGHPGPGSUOO-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid (CID 82691048) is 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid is CC(C)C(NC(=O)N1CCC(OCCO)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is PFZMGHPGPGSUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(2)11(12(17)18)14-13(19)15-5-3-10(4-6-15)20-8-7-16/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid?
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 82691048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).