N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide

C12H21N3O4 — CID 138728816

IUPACN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide
SMILESCNC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C1CCNC(=O)C1
InChIInChI=1S/C12H21N3O4/c1-7(16)10(11(18)13-2)15(3)12(19)8-4-5-14-9(17)6-8/h7-8,10,16H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-,8?,10+/m1/s1
InChIKeyRGYKOPKNSDGEIR-SHTILUHOSA-N
MW271.32 g/mol
LogP-1.53
Rot. Bonds4

About N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide

N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 138728816) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide
PubChem CID138728816
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide
SMILESCNC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C1CCNC(=O)C1
InChIInChI=1S/C12H21N3O4/c1-7(16)10(11(18)13-2)15(3)12(19)8-4-5-14-9(17)6-8/h7-8,10,16H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-,8?,10+/m1/s1
InChIKeyRGYKOPKNSDGEIR-SHTILUHOSA-N
XLogP-1.53
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide (CID 138728816) is N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide is CNC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C1CCNC(=O)C1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is RGYKOPKNSDGEIR-SHTILUHOSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(16)10(11(18)13-2)15(3)12(19)8-4-5-14-9(17)6-8/h7-8,10,16H,4-6H2,1-3H3,(H,13,18)(H,14,17)/t7-,8?,10+/m1/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide?
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-N-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 138728816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).