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

C12H20N2O5 — CID 114144299

IUPAC3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8(15)14-5-3-9(4-6-14)11(16)13-7-10(19-2)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQWZZEXHVJSYECI-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.54
Rot. Bonds5

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

3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 114144299) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID114144299
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8(15)14-5-3-9(4-6-14)11(16)13-7-10(19-2)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQWZZEXHVJSYECI-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
3-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106109942
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-[(1-acetylpiperidine-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108792200
2-methoxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 106110229
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid (CID 114144299) is 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)C1CCN(C(C)=O)CC1)C(=O)O.
What is the InChIKey of 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is QWZZEXHVJSYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(15)14-5-3-9(4-6-14)11(16)13-7-10(19-2)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid?
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).