(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid

C9H17NO3 — CID 27440266

IUPAC(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-6-5-10-4-2-3-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyKNIRSSPGCMVUBY-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds4

About (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid

(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 27440266) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID27440266
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCOCCN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-6-5-10-4-2-3-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyKNIRSSPGCMVUBY-QMMMGPOBSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 126423113
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 27440266) is (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid is COCCN1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is KNIRSSPGCMVUBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-5-10-4-2-3-8(7-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 27440266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).