2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid

C7H17N3O3S — CID 174806169

IUPAC2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.NCCS
InChIInChI=1S/C5H10N2O3.C2H7NS/c6-3(5(9)10)1-2-4(7)8;3-1-2-4/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H2/t3-;/m0./s1
InChIKeySFWVHNRLHZYAKY-DFWYDOINSA-N
MW223.30 g/mol
LogP-1.46
Rot. Bonds5

About 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid

2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 174806169) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID174806169
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.NCCS
InChIInChI=1S/C5H10N2O3.C2H7NS/c6-3(5(9)10)1-2-4(7)8;3-1-2-4/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H2/t3-;/m0./s1
InChIKeySFWVHNRLHZYAKY-DFWYDOINSA-N
XLogP-1.46
TPSA132.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
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
3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 166652830
2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 22595067
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid (CID 174806169) is 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid is NC(=O)CC[C@H](N)C(=O)O.NCCS.
What is the InChIKey of 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is SFWVHNRLHZYAKY-DFWYDOINSA-N. The full InChI is InChI=1S/C5H10N2O3.C2H7NS/c6-3(5(9)10)1-2-4(7)8;3-1-2-4/h3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3H2/t3-;/m0./s1.
What are the key properties of 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid?
2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 223.30 g/mol, XLogP of -1.46, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174806169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).