2-[(methyldisulfanyl)amino]acetic acid

C3H7NO2S2 — CID 19105335

IUPAC2-[(methyldisulfanyl)amino]acetic acid
SMILESCSSNCC(=O)O
InChIInChI=1S/C3H7NO2S2/c1-7-8-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFCMHAAHDPVASHW-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.59
Rot. Bonds4

About 2-[(methyldisulfanyl)amino]acetic acid

2-[(methyldisulfanyl)amino]acetic acid (PubChem CID 19105335) has the molecular formula C3H7NO2S2 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-[(methyldisulfanyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(methyldisulfanyl)amino]acetic acid
PubChem CID19105335
Molecular FormulaC3H7NO2S2
Molecular Weight153.23 g/mol
Exact Mass152.99
IUPAC Name2-[(methyldisulfanyl)amino]acetic acid
SMILESCSSNCC(=O)O
InChIInChI=1S/C3H7NO2S2/c1-7-8-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFCMHAAHDPVASHW-UHFFFAOYSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(methyldisulfanyl)amino]acetic acid?
The IUPAC name of 2-[(methyldisulfanyl)amino]acetic acid (CID 19105335) is 2-[(methyldisulfanyl)amino]acetic acid.
What is the SMILES notation for 2-[(methyldisulfanyl)amino]acetic acid?
The canonical SMILES for 2-[(methyldisulfanyl)amino]acetic acid is CSSNCC(=O)O.
What is the InChIKey of 2-[(methyldisulfanyl)amino]acetic acid?
The InChIKey is FCMHAAHDPVASHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S2/c1-7-8-4-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-[(methyldisulfanyl)amino]acetic acid?
2-[(methyldisulfanyl)amino]acetic acid has a molecular weight of 153.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methyldisulfanyl)amino]acetic acid is sourced from PubChem (CID 19105335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).