benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

C16H21NO3 — CID 129379459

IUPACbenzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](OCC2CC2)C1
InChIInChI=1S/C16H21NO3/c18-16(20-12-13-4-2-1-3-5-13)17-9-8-15(10-17)19-11-14-6-7-14/h1-5,14-15H,6-12H2/t15-/m1/s1
InChIKeyNSTKCXDKLNOTRG-OAHLLOKOSA-N
MW275.35 g/mol
LogP2.82
Rot. Bonds5

About benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (PubChem CID 129379459) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
PubChem CID129379459
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](OCC2CC2)C1
InChIInChI=1S/C16H21NO3/c18-16(20-12-13-4-2-1-3-5-13)17-9-8-15(10-17)19-11-14-6-7-14/h1-5,14-15H,6-12H2/t15-/m1/s1
InChIKeyNSTKCXDKLNOTRG-OAHLLOKOSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 67294156
benzyl 3-(2-ethoxy-2-oxoethoxy)pyrrolidine-1-carboxylate
CID 175933691
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040
benzyl (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate
CID 23255909
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 3-hydroxypyrrolidine-1-carboxylate;benzyl 3-methylsulfonyloxypyrrolidine-1-carboxylate;methane
CID 163827894
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (CID 129379459) is benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](OCC2CC2)C1.
What is the InChIKey of benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The InChIKey is NSTKCXDKLNOTRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(20-12-13-4-2-1-3-5-13)17-9-8-15(10-17)19-11-14-6-7-14/h1-5,14-15H,6-12H2/t15-/m1/s1.
What are the key properties of benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129379459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).