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

C16H22N2O2 — CID 175852571

IUPACbenzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](NC2CCC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18-10-9-15(11-18)17-14-7-4-8-14/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m1/s1
InChIKeySVLJVTLUTQLWGS-OAHLLOKOSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds4

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

benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate (PubChem CID 175852571) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
PubChem CID175852571
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](NC2CCC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18-10-9-15(11-18)17-14-7-4-8-14/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m1/s1
InChIKeySVLJVTLUTQLWGS-OAHLLOKOSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
CID 67214786
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675
benzyl 3-aminopyrrolidine-1-carboxylate;benzyl 3-(propan-2-ylamino)pyrrolidine-1-carboxylate;methane
CID 157491543
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyrrolidine-1-carboxylate
CID 118431252
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate (CID 175852571) is benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](NC2CCC2)C1.
What is the InChIKey of benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate?
The InChIKey is SVLJVTLUTQLWGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18-10-9-15(11-18)17-14-7-4-8-14/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m1/s1.
What are the key properties of benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate?
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175852571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).