methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate

C12H20N2O5 — CID 103958143

IUPACmethyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)14-5-3-4-9(7-14)11(17)13-6-10(16)12(18)19-2/h9-10,16H,3-7H2,1-2H3,(H,13,17)
InChIKeyPMRDEUXYXXXBFX-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.11
Rot. Bonds4

About methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 103958143) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
PubChem CID103958143
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)14-5-3-4-9(7-14)11(17)13-6-10(16)12(18)19-2/h9-10,16H,3-7H2,1-2H3,(H,13,17)
InChIKeyPMRDEUXYXXXBFX-UHFFFAOYSA-N
XLogP-1.11
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107214937
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate (CID 103958143) is methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is PMRDEUXYXXXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(15)14-5-3-4-9(7-14)11(17)13-6-10(16)12(18)19-2/h9-10,16H,3-7H2,1-2H3,(H,13,17).
What are the key properties of methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 272.30 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 103958143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).