1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine

C10H20N3O4S- — CID 77233396

IUPAC1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1N(CCC(N)C(=O)O)S(=O)[O-]
InChIInChI=1S/C10H21N3O4S/c1-10(2)5-3-6-12(10)13(18(16)17)7-4-8(11)9(14)15/h8H,3-7,11H2,1-2H3,(H,14,15)(H,16,17)/p-1
InChIKeyXWAOSHJCKPMFCA-UHFFFAOYSA-M
MW278.35 g/mol
LogP-0.33
Rot. Bonds6

About 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine

1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine (PubChem CID 77233396) has the molecular formula C10H20N3O4S- and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine
PubChem CID77233396
Molecular FormulaC10H20N3O4S-
Molecular Weight278.35 g/mol
Exact Mass278.12
IUPAC Name1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1N(CCC(N)C(=O)O)S(=O)[O-]
InChIInChI=1S/C10H21N3O4S/c1-10(2)5-3-6-12(10)13(18(16)17)7-4-8(11)9(14)15/h8H,3-7,11H2,1-2H3,(H,14,15)(H,16,17)/p-1
InChIKeyXWAOSHJCKPMFCA-UHFFFAOYSA-M
XLogP-0.33
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine?
The IUPAC name of 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine (CID 77233396) is 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine is CC1(C)CCCN1N(CCC(N)C(=O)O)S(=O)[O-].
What is the InChIKey of 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine?
The InChIKey is XWAOSHJCKPMFCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N3O4S/c1-10(2)5-3-6-12(10)13(18(16)17)7-4-8(11)9(14)15/h8H,3-7,11H2,1-2H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine?
1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine has a molecular weight of 278.35 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-3-carboxypropyl)-sulfinatoamino]-2,2-dimethylpyrrolidine is sourced from PubChem (CID 77233396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).