(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid

C7H14N2O4S — CID 70945668

IUPAC(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESN[C@@H](CS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeySAHOLOIOAKLROW-LURJTMIESA-N
MW222.27 g/mol
LogP-1.18
Rot. Bonds4

About (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid

(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid (PubChem CID 70945668) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
PubChem CID70945668
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESN[C@@H](CS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeySAHOLOIOAKLROW-LURJTMIESA-N
XLogP-1.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
2-(azetidin-1-ylsulfonyl)acetic acid
CID 43440211
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
(2S)-2,5-diamino-5-piperidin-1-ylpentanoic acid
CID 142469236
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
CID 23631709
(2S)-3-amino-2-[4-(2-methylpropylsulfonyl)piperazin-1-yl]propanoic acid
CID 66871519
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid (CID 70945668) is (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid is N[C@@H](CS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The InChIKey is SAHOLOIOAKLROW-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid has a molecular weight of 222.27 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid is sourced from PubChem (CID 70945668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).