(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid

C6H11ClN2O3S2 — CID 142758437

IUPAC(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
SMILESN[C@@H](CSSC[C@H](N)C(=O)Cl)C(=O)O
InChIInChI=1S/C6H11ClN2O3S2/c7-5(10)3(8)1-13-14-2-4(9)6(11)12/h3-4H,1-2,8-9H2,(H,11,12)/t3-,4-/m0/s1
InChIKeySWVDNDRPYCGCFC-IMJSIDKUSA-N
MW258.75 g/mol
LogP-0.13
Rot. Bonds7

About (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid

(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid (PubChem CID 142758437) has the molecular formula C6H11ClN2O3S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
PubChem CID142758437
Molecular FormulaC6H11ClN2O3S2
Molecular Weight258.75 g/mol
Exact Mass257.99
IUPAC Name(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
SMILESN[C@@H](CSSC[C@H](N)C(=O)Cl)C(=O)O
InChIInChI=1S/C6H11ClN2O3S2/c7-5(10)3(8)1-13-14-2-4(9)6(11)12/h3-4H,1-2,8-9H2,(H,11,12)/t3-,4-/m0/s1
InChIKeySWVDNDRPYCGCFC-IMJSIDKUSA-N
XLogP-0.13
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]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

(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
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
2-amino-3-[[2-carboxy-2-(chloroamino)ethyl]disulfanyl]propanoic acid
CID 21490626
(2R)-2-amino-3-(trisulfanyl)propanoic acid
CID 137350062
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid (CID 142758437) is (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid is N[C@@H](CSSC[C@H](N)C(=O)Cl)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid?
The InChIKey is SWVDNDRPYCGCFC-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H11ClN2O3S2/c7-5(10)3(8)1-13-14-2-4(9)6(11)12/h3-4H,1-2,8-9H2,(H,11,12)/t3-,4-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid?
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid has a molecular weight of 258.75 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid is sourced from PubChem (CID 142758437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).