benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

C21H24N2O3 — CID 15942420

IUPACbenzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESO=C(C[C@@H](NC(=O)[C@H]1CCCN1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-20(26-15-16-8-3-1-4-9-16)14-19(17-10-5-2-6-11-17)23-21(25)18-12-7-13-22-18/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyWRFCVYMEUWXBMN-RTBURBONSA-N
MW352.43 g/mol
LogP2.73
Rot. Bonds7

About benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 15942420) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID15942420
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namebenzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESO=C(C[C@@H](NC(=O)[C@H]1CCCN1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-20(26-15-16-8-3-1-4-9-16)14-19(17-10-5-2-6-11-17)23-21(25)18-12-7-13-22-18/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyWRFCVYMEUWXBMN-RTBURBONSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44578234
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CID 155489962
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CID 455772
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CID 11090880
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CID 44342482
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CID 381816
CID 381816
CID 2755911
CID 2755911

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (CID 15942420) is benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is O=C(C[C@@H](NC(=O)[C@H]1CCCN1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is WRFCVYMEUWXBMN-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(26-15-16-8-3-1-4-9-16)14-19(17-10-5-2-6-11-17)23-21(25)18-12-7-13-22-18/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 352.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 15942420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).