ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid

C8H16N2O4 — CID 159339373

IUPACethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
SMILESCCOC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2-6-3(4)5/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H2,4,5)/t4-;/m0./s1
InChIKeyLFYHDNNRTGJFCE-WCCKRBBISA-N
MW204.23 g/mol
LogP-0.08
Rot. Bonds2

About ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid

ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 159339373) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID159339373
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
SMILESCCOC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2-6-3(4)5/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H2,4,5)/t4-;/m0./s1
InChIKeyLFYHDNNRTGJFCE-WCCKRBBISA-N
XLogP-0.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid (CID 159339373) is ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid is CCOC(N)=O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is LFYHDNNRTGJFCE-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2-6-3(4)5/h4,6H,1-3H2,(H,7,8);2H2,1H3,(H2,4,5)/t4-;/m0./s1.
What are the key properties of ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid?
ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159339373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).