4-amino-5-sulfopentanoic acid

C5H11NO5S — CID 15294689

IUPAC4-amino-5-sulfopentanoic acid
SMILESNC(CCC(=O)O)CS(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c6-4(1-2-5(7)8)3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11)
InChIKeyCCQUEFVSGBNWHP-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.93
Rot. Bonds5

About 4-amino-5-sulfopentanoic acid

4-amino-5-sulfopentanoic acid (PubChem CID 15294689) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-amino-5-sulfopentanoic acid.

Molecular Properties

Compound Name4-amino-5-sulfopentanoic acid
PubChem CID15294689
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name4-amino-5-sulfopentanoic acid
SMILESNC(CCC(=O)O)CS(=O)(=O)O
InChIInChI=1S/C5H11NO5S/c6-4(1-2-5(7)8)3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11)
InChIKeyCCQUEFVSGBNWHP-UHFFFAOYSA-N
XLogP-0.93
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 ≤ 5-0.93
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

Homocysteic acid
CID 92117
L-Homocysteic acid
CID 177491
D-homocysteic acid
CID 185861
2-Amino-5-sulfopentanoic acid
CID 85801360
(4S)-4-amino-1,1-dioxothiolane-2-carboxylic acid
CID 122403361
(4R)-4-amino-1,1-dioxothiolane-2-carboxylic acid
CID 122403365
Cysteic acid glutamate
CID 129717988
N-(2-aminoethanesulfonyl)-(s)-glutamic acid
CID 166637349
4-(4,4,4-Trifluorobutylsulfonylamino)pentanoic acid
CID 83068694
3-Amino-4-sulfobutanoic acid
CID 15294688
4-Amino-2-sulfobutanoic acid
CID 20561413
4-Amino-3-sulfobutanoic acid
CID 20561417

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-sulfopentanoic acid?
The IUPAC name of 4-amino-5-sulfopentanoic acid (CID 15294689) is 4-amino-5-sulfopentanoic acid.
What is the SMILES notation for 4-amino-5-sulfopentanoic acid?
The canonical SMILES for 4-amino-5-sulfopentanoic acid is NC(CCC(=O)O)CS(=O)(=O)O.
What is the InChIKey of 4-amino-5-sulfopentanoic acid?
The InChIKey is CCQUEFVSGBNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c6-4(1-2-5(7)8)3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11).
What are the key properties of 4-amino-5-sulfopentanoic acid?
4-amino-5-sulfopentanoic acid has a molecular weight of 197.21 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-sulfopentanoic acid is sourced from PubChem (CID 15294689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).