(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid

C10H15NO5 — CID 58298372

IUPAC(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCOC(=O)[C@@H]1C(C(=O)O)CCCN1C(C)=O
InChIInChI=1S/C10H15NO5/c1-6(12)11-5-3-4-7(9(13)14)8(11)10(15)16-2/h7-8H,3-5H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyNMNHKHWKQNUCNR-MQWKRIRWSA-N
MW229.23 g/mol
LogP-0.13
Rot. Bonds2

About (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid

(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 58298372) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
PubChem CID58298372
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCOC(=O)[C@@H]1C(C(=O)O)CCCN1C(C)=O
InChIInChI=1S/C10H15NO5/c1-6(12)11-5-3-4-7(9(13)14)8(11)10(15)16-2/h7-8H,3-5H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyNMNHKHWKQNUCNR-MQWKRIRWSA-N
XLogP-0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O,3-O-dimethyl (2R,3S)-piperidine-1,2,3-tricarboxylate
CID 174297220
1-acetyl-3-methoxypiperidine-2-carboxylic acid
CID 167730306
methyl (2R,3R)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153577
methyl (2R,3S)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153578
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
1-O-tert-butyl 3-O-methyl 2-methylpiperidine-1,3-dicarboxylate
CID 90404337
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
methyl 1-acetyl-3-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxylate
CID 73148466
dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate
CID 101092452
methyl 1-acetyl-3-oxopiperidine-2-carboxylate
CID 82397953
methyl 1-acetyl-3-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxylate
CID 3277506
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
CID 124744772

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid (CID 58298372) is (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid is COC(=O)[C@@H]1C(C(=O)O)CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is NMNHKHWKQNUCNR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6(12)11-5-3-4-7(9(13)14)8(11)10(15)16-2/h7-8H,3-5H2,1-2H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid?
(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 58298372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).