1-acetyl-3-methoxypiperidine-2-carboxylic acid

C9H15NO4 — CID 167730306

IUPAC1-acetyl-3-methoxypiperidine-2-carboxylic acid
SMILESCOC1CCCN(C(C)=O)C1C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(11)10-5-3-4-7(14-2)8(10)9(12)13/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyKRTLOCZKVGWSKT-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds2

About 1-acetyl-3-methoxypiperidine-2-carboxylic acid

1-acetyl-3-methoxypiperidine-2-carboxylic acid (PubChem CID 167730306) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-acetyl-3-methoxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-methoxypiperidine-2-carboxylic acid
PubChem CID167730306
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-acetyl-3-methoxypiperidine-2-carboxylic acid
SMILESCOC1CCCN(C(C)=O)C1C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(11)10-5-3-4-7(14-2)8(10)9(12)13/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyKRTLOCZKVGWSKT-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
CID 58298372
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324543
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
CID 176999093
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
(2S,3R)-1-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-methoxypyrrolidine-2-carboxylic acid
CID 170165386
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
ethane;methyl formate;1-(2-methylpyrrolidin-1-yl)ethanone
CID 142572417

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methoxypiperidine-2-carboxylic acid?
The IUPAC name of 1-acetyl-3-methoxypiperidine-2-carboxylic acid (CID 167730306) is 1-acetyl-3-methoxypiperidine-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-methoxypiperidine-2-carboxylic acid?
The canonical SMILES for 1-acetyl-3-methoxypiperidine-2-carboxylic acid is COC1CCCN(C(C)=O)C1C(=O)O.
What is the InChIKey of 1-acetyl-3-methoxypiperidine-2-carboxylic acid?
The InChIKey is KRTLOCZKVGWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)10-5-3-4-7(14-2)8(10)9(12)13/h7-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-acetyl-3-methoxypiperidine-2-carboxylic acid?
1-acetyl-3-methoxypiperidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methoxypiperidine-2-carboxylic acid is sourced from PubChem (CID 167730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).