(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid

C19H32N2O5 — CID 167269905

IUPAC(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(=O)N1C[C@@H](C)O[C@@H](C(C)(C)C(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C19H32N2O5/c1-12(2)16(22)21-9-13(3)26-15(11-21)19(4,5)18(25)20-8-6-7-14(10-20)17(23)24/h12-15H,6-11H2,1-5H3,(H,23,24)/t13-,14-,15-/m1/s1
InChIKeyDWNDNOGEAWGNOM-RBSFLKMASA-N
MW368.47 g/mol
LogP1.61
Rot. Bonds4

About (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid

(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid (PubChem CID 167269905) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid
PubChem CID167269905
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(=O)N1C[C@@H](C)O[C@@H](C(C)(C)C(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C19H32N2O5/c1-12(2)16(22)21-9-13(3)26-15(11-21)19(4,5)18(25)20-8-6-7-14(10-20)17(23)24/h12-15H,6-11H2,1-5H3,(H,23,24)/t13-,14-,15-/m1/s1
InChIKeyDWNDNOGEAWGNOM-RBSFLKMASA-N
XLogP1.61
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid (CID 167269905) is (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid is CC(C)C(=O)N1C[C@@H](C)O[C@@H](C(C)(C)C(=O)N2CCC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is DWNDNOGEAWGNOM-RBSFLKMASA-N. The full InChI is InChI=1S/C19H32N2O5/c1-12(2)16(22)21-9-13(3)26-15(11-21)19(4,5)18(25)20-8-6-7-14(10-20)17(23)24/h12-15H,6-11H2,1-5H3,(H,23,24)/t13-,14-,15-/m1/s1.
What are the key properties of (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid has a molecular weight of 368.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-methyl-2-[(2S,6R)-6-methyl-4-(2-methylpropanoyl)morpholin-2-yl]propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167269905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).