(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid

C10H20N2O4S — CID 141203055

IUPAC(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
SMILESCSCC[C@@H](N)C(=O)O.O=C(O)[C@H]1CCCN1
InChIInChI=1S/C5H11NO2S.C5H9NO2/c1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8)/t2*4-/m11/s1
InChIKeyPDMBMVZGASWJBZ-DGPROHSZSA-N
MW264.35 g/mol
LogP-0.03
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid

(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid (PubChem CID 141203055) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
PubChem CID141203055
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
SMILESCSCC[C@@H](N)C(=O)O.O=C(O)[C@H]1CCCN1
InChIInChI=1S/C5H11NO2S.C5H9NO2/c1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8)/t2*4-/m11/s1
InChIKeyPDMBMVZGASWJBZ-DGPROHSZSA-N
XLogP-0.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
(2S)-2,6-diaminohexanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 161069597
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
bis(2-amino-4-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;2-aminopentanedioic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 175001013
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;5-chloro-1H-indole;(2S)-pyrrolidine-2-carboxylic acid
CID 157261066
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid (CID 141203055) is (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid is CSCC[C@@H](N)C(=O)O.O=C(O)[C@H]1CCCN1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid?
The InChIKey is PDMBMVZGASWJBZ-DGPROHSZSA-N. The full InChI is InChI=1S/C5H11NO2S.C5H9NO2/c1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8)/t2*4-/m11/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid?
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141203055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).