benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate

C13H16N2O3 — CID 27281872

IUPACbenzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
SMILESNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c14-12(16)11-6-7-15(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,16)/t11-/m1/s1
InChIKeyRFMDNYSGEQPCAA-LLVKDONJSA-N
MW248.28 g/mol
LogP1.13
Rot. Bonds3

About benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate

benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate (PubChem CID 27281872) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
PubChem CID27281872
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
SMILESNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c14-12(16)11-6-7-15(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,16)/t11-/m1/s1
InChIKeyRFMDNYSGEQPCAA-LLVKDONJSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 154865844
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate (CID 27281872) is benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate is NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate?
The InChIKey is RFMDNYSGEQPCAA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(16)11-6-7-15(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,16)/t11-/m1/s1.
What are the key properties of benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate?
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 27281872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).