5-amino-5-sulfopentanoic acid

C5H11NO5S — CID 174439740

IUPAC5-amino-5-sulfopentanoic acid
SMILESNC(CCCC(=O)O)S(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H,9,10,11)
InChIKeyOVPPTTPMINADIE-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.59
Rot. Bonds5

About 5-amino-5-sulfopentanoic acid

5-amino-5-sulfopentanoic acid (PubChem CID 174439740) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-amino-5-sulfopentanoic acid.

Molecular Properties

Compound Name5-amino-5-sulfopentanoic acid
PubChem CID174439740
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name5-amino-5-sulfopentanoic acid
SMILESNC(CCCC(=O)O)S(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H,9,10,11)
InChIKeyOVPPTTPMINADIE-UHFFFAOYSA-N
XLogP-0.59
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
dipotassium;hydride;2-sulfohexanedioic acid
CID 173413962
5-aminododecanedioic acid
CID 3835680
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191
5-aminohept-6-ynoic acid
CID 71374122
6-amino-5,6-dihydroxyhexanoic acid
CID 123463215
6,12-diaminoheptadecanedioic acid
CID 23455605
disodium;2-aminohexanedioic acid;hydride
CID 174674537
5,5-dihydroxypentanoic acid
CID 57194054
1-amino-4-oxooctane-1-sulfonic acid
CID 151138652
5,5-dibromopentanoic acid
CID 54289064
ethane-1,1,2-triamine;hexanedioic acid
CID 19698869

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-sulfopentanoic acid?
The IUPAC name of 5-amino-5-sulfopentanoic acid (CID 174439740) is 5-amino-5-sulfopentanoic acid.
What is the SMILES notation for 5-amino-5-sulfopentanoic acid?
The canonical SMILES for 5-amino-5-sulfopentanoic acid is NC(CCCC(=O)O)S(=O)(=O)O.
What is the InChIKey of 5-amino-5-sulfopentanoic acid?
The InChIKey is OVPPTTPMINADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H,9,10,11).
What are the key properties of 5-amino-5-sulfopentanoic acid?
5-amino-5-sulfopentanoic acid has a molecular weight of 197.21 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-sulfopentanoic acid is sourced from PubChem (CID 174439740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).