2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid

C12H16N2O6S2 — CID 88925480

IUPAC2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid
SMILESC=CC(=O)N(C(=O)C=C)[C@@H](CSSCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C12H16N2O6S2/c1-3-9(15)14(10(16)4-2)8(12(19)20)6-22-21-5-7(13)11(17)18/h3-4,7-8H,1-2,5-6,13H2,(H,17,18)(H,19,20)/t7?,8-/m0/s1
InChIKeyFZTHINYVQFVUPM-MQWKRIRWSA-N
MW348.40 g/mol
LogP-0.04
Rot. Bonds10

About 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid

2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid (PubChem CID 88925480) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid
PubChem CID88925480
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid
SMILESC=CC(=O)N(C(=O)C=C)[C@@H](CSSCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C12H16N2O6S2/c1-3-9(15)14(10(16)4-2)8(12(19)20)6-22-21-5-7(13)11(17)18/h3-4,7-8H,1-2,5-6,13H2,(H,17,18)(H,19,20)/t7?,8-/m0/s1
InChIKeyFZTHINYVQFVUPM-MQWKRIRWSA-N
XLogP-0.04
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[[(2R)-2-[bis(prop-2-enoxycarbonyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 88701068
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2S)-2-[di(prop-2-enoyl)amino]pentanedioic acid
CID 57114411
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
2-amino-3-prop-2-enoylsulfanylpropanoic acid
CID 135281345
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid?
The IUPAC name of 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid (CID 88925480) is 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid is C=CC(=O)N(C(=O)C=C)[C@@H](CSSCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid?
The InChIKey is FZTHINYVQFVUPM-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-3-9(15)14(10(16)4-2)8(12(19)20)6-22-21-5-7(13)11(17)18/h3-4,7-8H,1-2,5-6,13H2,(H,17,18)(H,19,20)/t7?,8-/m0/s1.
What are the key properties of 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid?
2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of -0.04, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid is sourced from PubChem (CID 88925480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).