(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid

C12H24N2O3 — CID 67332783

IUPAC(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid
SMILESCOCC[C@@H]1CC[C@@H](NC(C)C)CN1C(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)13-10-4-5-11(6-7-17-3)14(8-10)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyUWEODNHMSFPTBW-MNOVXSKESA-N
MW244.33 g/mol
LogP1.53
Rot. Bonds5

About (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid

(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid (PubChem CID 67332783) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid
PubChem CID67332783
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid
SMILESCOCC[C@@H]1CC[C@@H](NC(C)C)CN1C(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)13-10-4-5-11(6-7-17-3)14(8-10)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyUWEODNHMSFPTBW-MNOVXSKESA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid?
The IUPAC name of (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid (CID 67332783) is (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid is COCC[C@@H]1CC[C@@H](NC(C)C)CN1C(=O)O.
What is the InChIKey of (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid?
The InChIKey is UWEODNHMSFPTBW-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)13-10-4-5-11(6-7-17-3)14(8-10)12(15)16/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid?
(2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 67332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).