(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C8H16N2O4 — CID 22825802

IUPAC(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1
InChIKeyMHJJUOJOAJLYBS-ZBRNBAAYSA-N
MW204.23 g/mol
LogP-0.76
Rot. Bonds2

About (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 22825802) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID22825802
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1
InChIKeyMHJJUOJOAJLYBS-ZBRNBAAYSA-N
XLogP-0.76
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67175874
CID 67175874
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
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CID 22457430
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
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
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 22825802) is (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is MHJJUOJOAJLYBS-ZBRNBAAYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H7NO2/c7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1.
What are the key properties of (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22825802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).