sulfo (2S)-2,5-diamino-5-oxopentanoate

C5H10N2O6S — CID 174388300

IUPACsulfo (2S)-2,5-diamino-5-oxopentanoate
SMILESNC(=O)CC[C@H](N)C(=O)OS(=O)(=O)O
InChIInChI=1S/C5H10N2O6S/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H2,7,8)(H,10,11,12)/t3-/m0/s1
InChIKeyPCMNAYWZGOJBOG-VKHMYHEASA-N
MW226.21 g/mol
LogP-2.07
Rot. Bonds5

About sulfo (2S)-2,5-diamino-5-oxopentanoate

sulfo (2S)-2,5-diamino-5-oxopentanoate (PubChem CID 174388300) has the molecular formula C5H10N2O6S and a molecular weight of 226.21 g/mol. Its IUPAC name is sulfo (2S)-2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Namesulfo (2S)-2,5-diamino-5-oxopentanoate
PubChem CID174388300
Molecular FormulaC5H10N2O6S
Molecular Weight226.21 g/mol
Exact Mass226.03
IUPAC Namesulfo (2S)-2,5-diamino-5-oxopentanoate
SMILESNC(=O)CC[C@H](N)C(=O)OS(=O)(=O)O
InChIInChI=1S/C5H10N2O6S/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H2,7,8)(H,10,11,12)/t3-/m0/s1
InChIKeyPCMNAYWZGOJBOG-VKHMYHEASA-N
XLogP-2.07
TPSA149.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl (2S)-2,5-diamino-5-oxopentanoate
CID 91355827
disulfo (2S)-2-aminobutanedioate
CID 174850638
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
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581

Frequently Asked Questions

What is the IUPAC name of sulfo (2S)-2,5-diamino-5-oxopentanoate?
The IUPAC name of sulfo (2S)-2,5-diamino-5-oxopentanoate (CID 174388300) is sulfo (2S)-2,5-diamino-5-oxopentanoate.
What is the SMILES notation for sulfo (2S)-2,5-diamino-5-oxopentanoate?
The canonical SMILES for sulfo (2S)-2,5-diamino-5-oxopentanoate is NC(=O)CC[C@H](N)C(=O)OS(=O)(=O)O.
What is the InChIKey of sulfo (2S)-2,5-diamino-5-oxopentanoate?
The InChIKey is PCMNAYWZGOJBOG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O6S/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H2,7,8)(H,10,11,12)/t3-/m0/s1.
What are the key properties of sulfo (2S)-2,5-diamino-5-oxopentanoate?
sulfo (2S)-2,5-diamino-5-oxopentanoate has a molecular weight of 226.21 g/mol, XLogP of -2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfo (2S)-2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 174388300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).