sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate

C5H9N2NaO3S — CID 172718737

IUPACsodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate
SMILESNC(=O)CC[C@H](NS)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10N2O3S.Na/c6-4(8)2-1-3(7-11)5(9)10;/h3,7,11H,1-2H2,(H2,6,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKeyGFFDJYNZWWNNRQ-DFWYDOINSA-M
MW200.19 g/mol
LogP-5.19
Rot. Bonds5

About sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate

sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate (PubChem CID 172718737) has the molecular formula C5H9N2NaO3S and a molecular weight of 200.19 g/mol. Its IUPAC name is sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate.

Molecular Properties

Compound Namesodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate
PubChem CID172718737
Molecular FormulaC5H9N2NaO3S
Molecular Weight200.19 g/mol
Exact Mass200.02
IUPAC Namesodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate
SMILESNC(=O)CC[C@H](NS)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10N2O3S.Na/c6-4(8)2-1-3(7-11)5(9)10;/h3,7,11H,1-2H2,(H2,6,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKeyGFFDJYNZWWNNRQ-DFWYDOINSA-M
XLogP-5.19
TPSA95.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-5.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium (2S)-5-(diaminomethylideneamino)-2-(sulfanylamino)pentanoate
CID 175880055
(2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 6993253
(2R)-2-methylpentanediamide
CID 90202517
2-methylpentanediamide
CID 19688970
(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
CID 2369526
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
sodium (2S)-5-amino-2-(diaminomethylideneamino)-5-oxopentanoate
CID 142705344
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
CID 9403798
2-[(2-sulfanylacetyl)amino]pentanediamide
CID 172744013
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
2-hydroxypentanediamide
CID 559184

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate?
The IUPAC name of sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate (CID 172718737) is sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate.
What is the SMILES notation for sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate?
The canonical SMILES for sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate is NC(=O)CC[C@H](NS)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate?
The InChIKey is GFFDJYNZWWNNRQ-DFWYDOINSA-M. The full InChI is InChI=1S/C5H10N2O3S.Na/c6-4(8)2-1-3(7-11)5(9)10;/h3,7,11H,1-2H2,(H2,6,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate?
sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate has a molecular weight of 200.19 g/mol, XLogP of -5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-5-amino-5-oxo-2-(sulfanylamino)pentanoate is sourced from PubChem (CID 172718737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).