2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid

C4H8N2O4S — CID 156903782

IUPAC2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid
SMILESNCC(=O)N(S)C(O)C(=O)O
InChIInChI=1S/C4H8N2O4S/c5-1-2(7)6(11)3(8)4(9)10/h3,8,11H,1,5H2,(H,9,10)
InChIKeyLOANRXDMIJKKQT-UHFFFAOYSA-N
MW180.18 g/mol
LogP-1.98
Rot. Bonds3

About 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid

2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid (PubChem CID 156903782) has the molecular formula C4H8N2O4S and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid
PubChem CID156903782
Molecular FormulaC4H8N2O4S
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid
SMILESNCC(=O)N(S)C(O)C(=O)O
InChIInChI=1S/C4H8N2O4S/c5-1-2(7)6(11)3(8)4(9)10/h3,8,11H,1,5H2,(H,9,10)
InChIKeyLOANRXDMIJKKQT-UHFFFAOYSA-N
XLogP-1.98
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-(2-aminoacetyl)amino]-2-sulfanylacetic acid
CID 175024501
(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
2-(N-(2-aminoacetyl)-2,4-difluoroanilino)-2-hydroxyacetic acid
CID 142637313
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
2-amino-N-(2-hydroxypropyl)-N-(2-methylpropyl)acetamide
CID 170614362
2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid
CID 174764731
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
2-[bis(2-aminoacetyl)amino]acetic acid
CID 23617061
bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
CID 133126863
(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
CID 57365622
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
2-aminoacetic acid;ethane-1,2-diamine;2-hydroxypropanoic acid
CID 174737478

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid?
The IUPAC name of 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid (CID 156903782) is 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid is NCC(=O)N(S)C(O)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid?
The InChIKey is LOANRXDMIJKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4S/c5-1-2(7)6(11)3(8)4(9)10/h3,8,11H,1,5H2,(H,9,10).
What are the key properties of 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid?
2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid has a molecular weight of 180.18 g/mol, XLogP of -1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-sulfanylamino]-2-hydroxyacetic acid is sourced from PubChem (CID 156903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).