ethyl (2S)-5-aminopyrrolidine-2-carboxylate

C7H14N2O2 — CID 118106276

IUPACethyl (2S)-5-aminopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(N)N1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h5-6,9H,2-4,8H2,1H3/t5-,6?/m0/s1
InChIKeyRSJUITLVAIEIBN-ZBHICJROSA-N
MW158.20 g/mol
LogP-0.41
Rot. Bonds2

About ethyl (2S)-5-aminopyrrolidine-2-carboxylate

ethyl (2S)-5-aminopyrrolidine-2-carboxylate (PubChem CID 118106276) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (2S)-5-aminopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-5-aminopyrrolidine-2-carboxylate
PubChem CID118106276
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl (2S)-5-aminopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(N)N1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h5-6,9H,2-4,8H2,1H3/t5-,6?/m0/s1
InChIKeyRSJUITLVAIEIBN-ZBHICJROSA-N
XLogP-0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl (2S,5R)-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate
CID 10776114
ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
CID 11816280
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
CID 90859815
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 27282195

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-aminopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-5-aminopyrrolidine-2-carboxylate (CID 118106276) is ethyl (2S)-5-aminopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-5-aminopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-5-aminopyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CCC(N)N1.
What is the InChIKey of ethyl (2S)-5-aminopyrrolidine-2-carboxylate?
The InChIKey is RSJUITLVAIEIBN-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h5-6,9H,2-4,8H2,1H3/t5-,6?/m0/s1.
What are the key properties of ethyl (2S)-5-aminopyrrolidine-2-carboxylate?
ethyl (2S)-5-aminopyrrolidine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-aminopyrrolidine-2-carboxylate is sourced from PubChem (CID 118106276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).