benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate

C15H20N2O5 — CID 15532433

IUPACbenzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)NC1CCN(C(=O)OCc2ccccc2)C1OC
InChIInChI=1S/C15H20N2O5/c1-20-13-12(16-14(18)21-2)8-9-17(13)15(19)22-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18)
InChIKeyMSEVREQNRJFWKX-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.73
Rot. Bonds4

About benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate

benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate (PubChem CID 15532433) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
PubChem CID15532433
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namebenzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)NC1CCN(C(=O)OCc2ccccc2)C1OC
InChIInChI=1S/C15H20N2O5/c1-20-13-12(16-14(18)21-2)8-9-17(13)15(19)22-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18)
InChIKeyMSEVREQNRJFWKX-UHFFFAOYSA-N
XLogP1.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
1-O-benzyl 4-O-methyl (2R)-2-methylpiperidine-1,4-dicarboxylate
CID 135393323
benzyl 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 175798044
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
1-O-benzyl 2-O-methyl 3-propan-2-ylpyrrolidine-1,2-dicarboxylate
CID 169193163
benzyl 3-hydroxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 85341259
benzyl (2R)-2-ethynylazetidine-1-carboxylate
CID 157287353
benzyl 4-bromo-2-methylpiperidine-1-carboxylate
CID 119029057
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
2-O-benzyl 3-O-methyl (3S,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135317961
1-O-benzyl 2-O-methyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 89131859

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate (CID 15532433) is benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate is COC(=O)NC1CCN(C(=O)OCc2ccccc2)C1OC.
What is the InChIKey of benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The InChIKey is MSEVREQNRJFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-20-13-12(16-14(18)21-2)8-9-17(13)15(19)22-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,18).
What are the key properties of benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methoxy-3-(methoxycarbonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15532433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).