benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate

C19H24N2O5 — CID 14819159

IUPACbenzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESC[C@H](NC1CCOC1=O)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O5/c1-13(20-15-9-11-25-18(15)23)17(22)21-10-5-8-16(21)19(24)26-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,20H,5,8-12H2,1H3/t13-,15?,16-/m0/s1
InChIKeyXCRMZDSWDONJFN-VFDRBLODSA-N
MW360.41 g/mol
LogP1.01
Rot. Bonds6

About benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate

benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate (PubChem CID 14819159) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate
PubChem CID14819159
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebenzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate
SMILESC[C@H](NC1CCOC1=O)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O5/c1-13(20-15-9-11-25-18(15)23)17(22)21-10-5-8-16(21)19(24)26-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,20H,5,8-12H2,1H3/t13-,15?,16-/m0/s1
InChIKeyXCRMZDSWDONJFN-VFDRBLODSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl (2S)-1-[(2S)-2-(diethylphosphorylamino)propanoyl]pyrrolidine-2-carboxylate
CID 70039995
methyl (2R)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 175816508
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
benzyl (2S)-1-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 13389836
benzyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl (2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241684
benzyl (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241695
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
benzyl (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
benzyl (2S)-1-[(2S)-2-[(1-ethoxy-1,4-dioxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 134990864

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate (CID 14819159) is benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate is C[C@H](NC1CCOC1=O)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is XCRMZDSWDONJFN-VFDRBLODSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(20-15-9-11-25-18(15)23)17(22)21-10-5-8-16(21)19(24)26-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,20H,5,8-12H2,1H3/t13-,15?,16-/m0/s1.
What are the key properties of benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate?
benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[(2S)-2-[(2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 14819159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).