benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate

C15H20N2O4 — CID 18404291

IUPACbenzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CC(OC)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(18)13-8-12(20-2)9-17(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18)
InChIKeyRHBBESOAGYMACY-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.16
Rot. Bonds4

About benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate

benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 18404291) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID18404291
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namebenzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CC(OC)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(18)13-8-12(20-2)9-17(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18)
InChIKeyRHBBESOAGYMACY-UHFFFAOYSA-N
XLogP1.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 118193066
benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
CID 69328945
1-O-benzyl 2-O-methyl (2S,4R)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate
CID 163226380
1-O-benzyl 2-O-methyl 4-ethenoxypyrrolidine-1,2-dicarboxylate
CID 123446649
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
2-[[C-[(2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidin-2-yl]-N-methylcarbonimidoyl]amino]oxy-3-methylbut-2-enedioic acid
CID 173032201
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
1-O-benzyl 2-O-methyl (2S,4S)-4-[4-(aminomethyl)phenoxy]pyrrolidine-1,2-dicarboxylate
CID 18654598
benzyl (2S,4R)-2-acetyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
CID 70896396
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 6950950
benzyl (2R,4R)-2-[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]-4-methoxypyrrolidine-1-carboxylate
CID 154852513

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate (CID 18404291) is benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate is CNC(=O)C1CC(OC)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is RHBBESOAGYMACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-14(18)13-8-12(20-2)9-17(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18).
What are the key properties of benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18404291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).