(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C12H17N3O7 — CID 10313589

IUPAC(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](n2oc(=O)[nH]c2=O)C[C@H]1C(=O)O
InChIInChI=1S/C12H17N3O7/c1-12(2,3)21-11(20)14-5-6(4-7(14)8(16)17)15-9(18)13-10(19)22-15/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,18,19)/t6-,7+/m1/s1
InChIKeyLQLDTCYURLIETL-RQJHMYQMSA-N
MW315.28 g/mol
LogP-0.24
Rot. Bonds2

About (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 10313589) has the molecular formula C12H17N3O7 and a molecular weight of 315.28 g/mol. Its IUPAC name is (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID10313589
Molecular FormulaC12H17N3O7
Molecular Weight315.28 g/mol
Exact Mass315.11
IUPAC Name(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](n2oc(=O)[nH]c2=O)C[C@H]1C(=O)O
InChIInChI=1S/C12H17N3O7/c1-12(2,3)21-11(20)14-5-6(4-7(14)8(16)17)15-9(18)13-10(19)22-15/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,18,19)/t6-,7+/m1/s1
InChIKeyLQLDTCYURLIETL-RQJHMYQMSA-N
XLogP-0.24
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54229923
(2S,4S)-4-(azetidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 155904953
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67085688
(2S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86723602
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
(4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid
CID 89321697
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 139024027
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 10313589) is (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H](n2oc(=O)[nH]c2=O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LQLDTCYURLIETL-RQJHMYQMSA-N. The full InChI is InChI=1S/C12H17N3O7/c1-12(2,3)21-11(20)14-5-6(4-7(14)8(16)17)15-9(18)13-10(19)22-15/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,18,19)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10313589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).