methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate

C15H21N3O5 — CID 46992451

IUPACmethyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C15H21N3O5/c1-9-6-10(2)17(15(22)16-9)5-4-13(20)18-8-11(19)7-12(18)14(21)23-3/h6,11-12,19H,4-5,7-8H2,1-3H3/t11-,12+/m1/s1
InChIKeyHUZRSYRLVRVVNY-NEPJUHHUSA-N
MW323.35 g/mol
LogP-0.61
Rot. Bonds4

About methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 46992451) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID46992451
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namemethyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C15H21N3O5/c1-9-6-10(2)17(15(22)16-9)5-4-13(20)18-8-11(19)7-12(18)14(21)23-3/h6,11-12,19H,4-5,7-8H2,1-3H3/t11-,12+/m1/s1
InChIKeyHUZRSYRLVRVVNY-NEPJUHHUSA-N
XLogP-0.61
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate with MolForge

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Related Compounds

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357026
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152357
(2S,4R)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856021
(2S,4S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713870
(2R,4R)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000221
(2S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 131926677
methyl (2R,4S)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 133113010

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 46992451) is methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is HUZRSYRLVRVVNY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-9-6-10(2)17(15(22)16-9)5-4-13(20)18-8-11(19)7-12(18)14(21)23-3/h6,11-12,19H,4-5,7-8H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 46992451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).