(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid

C7H15N3O4S — CID 70945755

IUPAC(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)5-9-15(13,14)10-3-1-2-4-10/h6,9H,1-5,8H2,(H,11,12)/t6-/m0/s1
InChIKeyPZMIKOKCWUZTOJ-LURJTMIESA-N
MW237.28 g/mol
LogP-1.67
Rot. Bonds5

About (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid

(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid (PubChem CID 70945755) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
PubChem CID70945755
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)5-9-15(13,14)10-3-1-2-4-10/h6,9H,1-5,8H2,(H,11,12)/t6-/m0/s1
InChIKeyPZMIKOKCWUZTOJ-LURJTMIESA-N
XLogP-1.67
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid (CID 70945755) is (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid is N[C@@H](CNS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is PZMIKOKCWUZTOJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O4S/c8-6(7(11)12)5-9-15(13,14)10-3-1-2-4-10/h6,9H,1-5,8H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of -1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 70945755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).