2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid

C10H21N5O4S — CID 67830299

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)C1NCCS1
InChIInChI=1S/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-5-1-2-8-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7)
InChIKeyFPFQUFITJZWWIH-UHFFFAOYSA-N
MW307.38 g/mol
LogP-1.81
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid (PubChem CID 67830299) has the molecular formula C10H21N5O4S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid
PubChem CID67830299
Molecular FormulaC10H21N5O4S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)C1NCCS1
InChIInChI=1S/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-5-1-2-8-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7)
InChIKeyFPFQUFITJZWWIH-UHFFFAOYSA-N
XLogP-1.81
TPSA177.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.38
LogP ≤ 5-1.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Tidiacic arginine
CID 161685
L-Arginine, 4-thiazolidinecarboxylate (1:1)
CID 9883032
(2S,4S)-4-(4-carboxybutylsulfanyl)pyrrolidine-2-carboxylic acid
CID 71740087
(2S,4R)-4-(4-carboxybutylsulfanyl)pyrrolidine-2-carboxylic acid
CID 71740210
H-DL-Pro-DL-Met-DL-Arg-OH
CID 18223637
l-Arginine l-proline
CID 67181802
Arginine thiazolidine
CID 129858702
L-Arginine, mono-2-thiazolidinecarboxylate
CID 156140
Pro-Met-Arg
CID 145457530
L-Arginine mono((R)-thiazolidine-4-carboxylate)
CID 44152114
2-Aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidine-2-carboxylic acid
CID 18783690
2-Amino-4-methylsulfanylbutanoic acid;2-aminopropanoic acid;pyrrolidine-2-carboxylic acid
CID 19787675

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid (CID 67830299) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid is NC(N)=NCCCC(N)C(=O)O.O=C(O)C1NCCS1.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid?
The InChIKey is FPFQUFITJZWWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-5-1-2-8-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of -1.81, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 67830299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).