(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid

C8H16N2O3 — CID 175042141

IUPAC(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid
SMILESCOCN[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C8H16N2O3/c1-13-5-10-6-2-3-7(8(11)12)9-4-6/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyGAHWINRRHDIBCQ-RQJHMYQMSA-N
MW188.23 g/mol
LogP-0.61
Rot. Bonds4

About (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid

(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid (PubChem CID 175042141) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid
PubChem CID175042141
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid
SMILESCOCN[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C8H16N2O3/c1-13-5-10-6-2-3-7(8(11)12)9-4-6/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyGAHWINRRHDIBCQ-RQJHMYQMSA-N
XLogP-0.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
5-(butoxyamino)piperidine-2-carboxylic acid
CID 89304173
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
CID 87217262
(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
CID 173291135
5-(hydroxymethyl)piperidine-2-carboxylic acid
CID 18320034
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
5-benzamidopiperidine-2-carboxylic acid
CID 66965508
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
(2R,5S)-5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 146013112

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid (CID 175042141) is (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid is COCN[C@@H]1CC[C@@H](C(=O)O)NC1.
What is the InChIKey of (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid?
The InChIKey is GAHWINRRHDIBCQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-5-10-6-2-3-7(8(11)12)9-4-6/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid?
(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 175042141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).