(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C8H14N2O3 — CID 10797632

IUPAC(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
InChIKeyXAZYBLFYZNUKHD-RQJHMYQMSA-N
MW186.21 g/mol
LogP-1.29
Rot. Bonds1

About (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide

(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 10797632) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID10797632
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
InChIKeyXAZYBLFYZNUKHD-RQJHMYQMSA-N
XLogP-1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 10797632) is (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O.
What is the InChIKey of (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XAZYBLFYZNUKHD-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10797632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).