(2S)-2-amino-5-sulfinopentanoic acid

C5H11NO4S — CID 174658816

IUPAC(2S)-2-amino-5-sulfinopentanoic acid
SMILESN[C@@H](CCCS(=O)O)C(=O)O
InChIInChI=1S/C5H11NO4S/c6-4(5(7)8)2-1-3-11(9)10/h4H,1-3,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyRSCBZUCVCHSVRM-BYPYZUCNSA-N
MW181.21 g/mol
LogP-0.60
Rot. Bonds5

About (2S)-2-amino-5-sulfinopentanoic acid

(2S)-2-amino-5-sulfinopentanoic acid (PubChem CID 174658816) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (2S)-2-amino-5-sulfinopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-sulfinopentanoic acid
PubChem CID174658816
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(2S)-2-amino-5-sulfinopentanoic acid
SMILESN[C@@H](CCCS(=O)O)C(=O)O
InChIInChI=1S/C5H11NO4S/c6-4(5(7)8)2-1-3-11(9)10/h4H,1-3,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyRSCBZUCVCHSVRM-BYPYZUCNSA-N
XLogP-0.60
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-5-hydroxy-5-oxopentane-1-sulfinate
CID 174658815
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
CID 90017502
2,3-bis(sulfanyl)-6-sulfinohexanoic acid
CID 57003725
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
zinc 2,5-diaminopentanoic acid
CID 56838280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-sulfinopentanoic acid?
The IUPAC name of (2S)-2-amino-5-sulfinopentanoic acid (CID 174658816) is (2S)-2-amino-5-sulfinopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-sulfinopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-sulfinopentanoic acid is N[C@@H](CCCS(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-sulfinopentanoic acid?
The InChIKey is RSCBZUCVCHSVRM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4S/c6-4(5(7)8)2-1-3-11(9)10/h4H,1-3,6H2,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-sulfinopentanoic acid?
(2S)-2-amino-5-sulfinopentanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-sulfinopentanoic acid is sourced from PubChem (CID 174658816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).