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

C19H24N2O4 — CID 95233560

IUPACbenzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H24N2O4/c22-17-9-5-11-20(17)13-10-18(23)21-12-4-8-16(21)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m0/s1
InChIKeyZKYDFUNXAVCJKT-INIZCTEOSA-N
MW344.41 g/mol
LogP1.73
Rot. Bonds6

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

benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 95233560) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate
PubChem CID95233560
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebenzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CCN1CCCC1=O
InChIInChI=1S/C19H24N2O4/c22-17-9-5-11-20(17)13-10-18(23)21-12-4-8-16(21)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m0/s1
InChIKeyZKYDFUNXAVCJKT-INIZCTEOSA-N
XLogP1.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
benzyl (2S)-1-[(2S)-1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54563213
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl 1-[2-(tert-butylamino)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 139619480
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
1-O-benzyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 853482
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate (CID 95233560) is benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate is O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CCN1CCCC1=O.
What is the InChIKey of benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is ZKYDFUNXAVCJKT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-9-5-11-20(17)13-10-18(23)21-12-4-8-16(21)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m0/s1.
What are the key properties of benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate?
benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 95233560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).