2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid

C9H18N2O4 — CID 19842151

IUPAC2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid
SMILESCNC(C)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2.C4H9NO2/c7-5(8)4-2-1-3-6-4;1-3(5-2)4(6)7/h4,6H,1-3H2,(H,7,8);3,5H,1-2H3,(H,6,7)
InChIKeyHILRXJOUKBYESU-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.50
Rot. Bonds3

About 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid

2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid (PubChem CID 19842151) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid
PubChem CID19842151
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid
SMILESCNC(C)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C5H9NO2.C4H9NO2/c7-5(8)4-2-1-3-6-4;1-3(5-2)4(6)7/h4,6H,1-3H2,(H,7,8);3,5H,1-2H3,(H,6,7)
InChIKeyHILRXJOUKBYESU-UHFFFAOYSA-N
XLogP-0.50
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
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
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid (CID 19842151) is 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid is CNC(C)C(=O)O.O=C(O)C1CCCN1.
What is the InChIKey of 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is HILRXJOUKBYESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H9NO2/c7-5(8)4-2-1-3-6-4;1-3(5-2)4(6)7/h4,6H,1-3H2,(H,7,8);3,5H,1-2H3,(H,6,7).
What are the key properties of 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid?
2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of -0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)propanoic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19842151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).