methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate

C14H21NO4 — CID 124573623

IUPACmethyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
SMILESCOCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)OC)o1
InChIInChI=1S/C14H21NO4/c1-10(14(16)18-3)15-8-4-5-12(15)13-7-6-11(19-13)9-17-2/h6-7,10,12H,4-5,8-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyNEKNNBPTMOCWCT-CMPLNLGQSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds5

About methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate

methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate (PubChem CID 124573623) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
PubChem CID124573623
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
SMILESCOCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)OC)o1
InChIInChI=1S/C14H21NO4/c1-10(14(16)18-3)15-8-4-5-12(15)13-7-6-11(19-13)9-17-2/h6-7,10,12H,4-5,8-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyNEKNNBPTMOCWCT-CMPLNLGQSA-N
XLogP2.12
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
CID 129381653
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822
4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 99858079
(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99637404
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
3-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122032962
[2-chloro-6-(methylamino)-4-pyridinyl]-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 97309825
2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 139010685
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 99715113

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate (CID 124573623) is methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate is COCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)OC)o1.
What is the InChIKey of methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate?
The InChIKey is NEKNNBPTMOCWCT-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(14(16)18-3)15-8-4-5-12(15)13-7-6-11(19-13)9-17-2/h6-7,10,12H,4-5,8-9H2,1-3H3/t10-,12+/m0/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate?
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate has a molecular weight of 267.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 124573623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).