ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

C16H28N2O5 — CID 137349401

IUPACethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
SMILESCCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
InChIKeyVOUMGEIBLJTQJX-NWDGAFQWSA-N
MW328.41 g/mol
LogP1.75
Rot. Bonds7

About ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (PubChem CID 137349401) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
PubChem CID137349401
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nameethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
SMILESCCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
InChIKeyVOUMGEIBLJTQJX-NWDGAFQWSA-N
XLogP1.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate with MolForge

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Related Compounds

Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-oxopyrrolidin-3-yl)pentanoate
CID 139033468
Bis(2-butyloctyl) 10-[decyl-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]nonadecanedioate
CID 168943874
ethyl (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]-3-sulfanylpentanoate
CID 57519704
ethyl (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3R)-2-oxopyrrolidin-3-yl]-3-sulfanylpentanoate
CID 60167568
ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CID 137349085
Tert-butyl 2-(4-ethoxy-3-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10828019
ethyl 2-[(1R,2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl]acetate
CID 102163875
Methyl 2-((tert-butoxycarbonyl)amino)-5-(4-methyl-5-oxopyrrolidin-2-yl)pentanoate
CID 133106815
ethyl 2-[(1R)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]cyclohexyl]acetate
CID 134838909
Boc-[Gamma-R-Leu]2-Delta-R-Leu-Gamma-R-Leu-OMe
CID 139176977
Ethyl 6-(2-methyl-5-oxopyrrolidin-3-yl)hexanoate
CID 145705649
methyl 5-[(2S)-4-methyl-5-oxopyrrolidin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 164665825

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The IUPAC name of ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CID 137349401) is ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate.
What is the SMILES notation for ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The canonical SMILES for ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate is CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The InChIKey is VOUMGEIBLJTQJX-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1.
What are the key properties of ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate has a molecular weight of 328.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate is sourced from PubChem (CID 137349401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).