benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate

C15H21N3O3 — CID 59006552

IUPACbenzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
SMILESCNC(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)17-10-13-8-5-9-18(13)15(20)21-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyBVFGTIQUJQKAIA-CYBMUJFWSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds4

About benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 59006552) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID59006552
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namebenzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
SMILESCNC(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)17-10-13-8-5-9-18(13)15(20)21-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyBVFGTIQUJQKAIA-CYBMUJFWSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 96552602
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benzyl 2-[(2-aminopropanoylamino)methyl]piperidine-1-carboxylate
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benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
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benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
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CID 171314813
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl 2-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
CID 47002984
benzyl (2S)-2-(dimethoxyphosphorylmethyl)pyrrolidine-1-carboxylate
CID 10592285
benzyl 2,4-dimethylazepane-1-carboxylate
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CID 10956739

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate (CID 59006552) is benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate is CNC(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is BVFGTIQUJQKAIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14(19)17-10-13-8-5-9-18(13)15(20)21-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59006552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).