benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate

C20H23N3O3 — CID 99945004

IUPACbenzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESO=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccn1C1CC1
InChIInChI=1S/C20H23N3O3/c24-19(18-7-4-11-23(18)17-8-9-17)21-16-10-12-22(13-16)20(25)26-14-15-5-2-1-3-6-15/h1-7,11,16-17H,8-10,12-14H2,(H,21,24)/t16-/m1/s1
InChIKeyADPJXYZEYRXVPU-MRXNPFEDSA-N
MW353.42 g/mol
LogP2.96
Rot. Bonds5

About benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate

benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 99945004) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID99945004
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namebenzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESO=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccn1C1CC1
InChIInChI=1S/C20H23N3O3/c24-19(18-7-4-11-23(18)17-8-9-17)21-16-10-12-22(13-16)20(25)26-14-15-5-2-1-3-6-15/h1-7,11,16-17H,8-10,12-14H2,(H,21,24)/t16-/m1/s1
InChIKeyADPJXYZEYRXVPU-MRXNPFEDSA-N
XLogP2.96
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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 (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl (3S)-3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71646510
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 97333048

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate (CID 99945004) is benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate is O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccn1C1CC1.
What is the InChIKey of benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is ADPJXYZEYRXVPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(18-7-4-11-23(18)17-8-9-17)21-16-10-12-22(13-16)20(25)26-14-15-5-2-1-3-6-15/h1-7,11,16-17H,8-10,12-14H2,(H,21,24)/t16-/m1/s1.
What are the key properties of benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate?
benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 99945004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).