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

C8H15N3O5S2 — CID 22833544

IUPAC(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid
SMILESNC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1
InChIKeyZHRLECIZINSPKL-AKGZTFGVSA-N
MW297.36 g/mol
LogP-1.69
Rot. Bonds9

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

(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid (PubChem CID 22833544) has the molecular formula C8H15N3O5S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid
PubChem CID22833544
Molecular FormulaC8H15N3O5S2
Molecular Weight297.36 g/mol
Exact Mass297.05
IUPAC Name(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid
SMILESNC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1
InChIKeyZHRLECIZINSPKL-AKGZTFGVSA-N
XLogP-1.69
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

L-Cysteinylglycine
CID 439498
Bucillamine
CID 656604
L-cysteinylglycine zwitterion
CID 7098621
Methionylmethionine
CID 104294
Ala-Ala-Ala
CID 5478845
N,N'-Diacetyl-L-cystine
CID 6995101
N-Monoacetylcystine
CID 12049111
Glycylmethionine, DL-
CID 96757
Methionylalanine
CID 14878381
Ala-Cys
CID 10058401
Glycyl-L-methionine
CID 151282
L-Methionyl-L-alanine
CID 7009581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid (CID 22833544) is (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid is NC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid?
The InChIKey is ZHRLECIZINSPKL-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid?
(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of -1.69, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid is sourced from PubChem (CID 22833544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).