3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid

C12H22N2O5 — CID 106110619

IUPAC3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(15)9-3-5-14(6-4-9)12(18)13-7-10(19-2)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVGZBOOXKUILHHW-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds5

About 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid

3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid (PubChem CID 106110619) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
PubChem CID106110619
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(15)9-3-5-14(6-4-9)12(18)13-7-10(19-2)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVGZBOOXKUILHHW-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 106110229
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
3-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106109942
2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid
CID 106110228
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110671
2-methoxy-3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 114144558
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110182
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid (CID 106110619) is 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N1CCC(C(C)O)CC1)C(=O)O.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid?
The InChIKey is VGZBOOXKUILHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(15)9-3-5-14(6-4-9)12(18)13-7-10(19-2)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid?
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).