benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate

C17H24N2O3 — CID 139548074

IUPACbenzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate
SMILESCC(C)N[C@@H]1CN(C(C)C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)18-15-9-19(10-16(15)20)13(3)17(21)22-11-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3/t13?,15-/m1/s1
InChIKeyHUNWUPCQDNRZCH-AWKYBWMHSA-N
MW304.39 g/mol
LogP1.37
Rot. Bonds6

About benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate

benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate (PubChem CID 139548074) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namebenzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate
PubChem CID139548074
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate
SMILESCC(C)N[C@@H]1CN(C(C)C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)18-15-9-19(10-16(15)20)13(3)17(21)22-11-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3/t13?,15-/m1/s1
InChIKeyHUNWUPCQDNRZCH-AWKYBWMHSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82342726
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benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl (3R)-3-amino-3-(2,5-dioxocyclopentyl)-2-methylpropanoate
CID 66720485
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CID 146289764
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82358742
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate?
The IUPAC name of benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate (CID 139548074) is benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate?
The canonical SMILES for benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate is CC(C)N[C@@H]1CN(C(C)C(=O)OCc2ccccc2)CC1=O.
What is the InChIKey of benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate?
The InChIKey is HUNWUPCQDNRZCH-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)18-15-9-19(10-16(15)20)13(3)17(21)22-11-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate?
benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate has a molecular weight of 304.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 139548074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).