(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid

C5H8N2O3S — CID 54554923

IUPAC(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid
SMILESNC(=O)CC[C@H](N=S)C(=O)O
InChIInChI=1S/C5H8N2O3S/c6-4(8)2-1-3(7-11)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)/t3-/m0/s1
InChIKeyZMMOYFVTCXJFAV-VKHMYHEASA-N
MW176.20 g/mol
LogP-0.56
Rot. Bonds5

About (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid

(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid (PubChem CID 54554923) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid
PubChem CID54554923
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid
SMILESNC(=O)CC[C@H](N=S)C(=O)O
InChIInChI=1S/C5H8N2O3S/c6-4(8)2-1-3(7-11)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)/t3-/m0/s1
InChIKeyZMMOYFVTCXJFAV-VKHMYHEASA-N
XLogP-0.56
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide
CID 169045872
sodium (2S)-5-amino-2-(diaminomethylideneamino)-5-oxopentanoate
CID 142705344

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid (CID 54554923) is (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid is NC(=O)CC[C@H](N=S)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid?
The InChIKey is ZMMOYFVTCXJFAV-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O3S/c6-4(8)2-1-3(7-11)5(9)10/h3H,1-2H2,(H2,6,8)(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid?
(2S)-5-amino-5-oxo-2-thionitrosopentanoic acid has a molecular weight of 176.20 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-thionitrosopentanoic acid is sourced from PubChem (CID 54554923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).