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

C11H20N2O3 — CID 137349085

IUPACethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
SMILESCCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyBLWBKGMLORNBPP-DTWKUNHWSA-N
MW228.29 g/mol
LogP0.18
Rot. Bonds6

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

ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (PubChem CID 137349085) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
PubChem CID137349085
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
SMILESCCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyBLWBKGMLORNBPP-DTWKUNHWSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558761
Ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
CID 59455401
Propan-2-yl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 44364466
Ethyl (4r)-4-[(Tert-Butoxycarbonyl)amino]-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate
CID 137349401
Isopropyl (1S,3R)-3-acetamidocyclohexane-1-carboxylate
CID 124155345
Ethyl 3-(4,4-difluoropyrrolidin-2-yl)butanoate
CID 122416806
methyl 2-[(4R)-4-fluoro-3-methoxypentyl]-5-oxopyrrolidine-3-carboxylate
CID 173998772
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 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-oxopyrrolidin-3-yl)pentanoate
CID 139033468
methyl (2S,3S)-2-cyclohexylpyrrolidine-3-carboxylate
CID 122375869
5-(3,3-Diethoxypropyl)-3-methylpyrrolidin-2-one
CID 133106810

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The IUPAC name of ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CID 137349085) is ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate.
What is the SMILES notation for ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The canonical SMILES for ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate is CCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
The InChIKey is BLWBKGMLORNBPP-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1.
What are the key properties of ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate?
ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate has a molecular weight of 228.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate is sourced from PubChem (CID 137349085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).