(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid

C11H23N5O6 — CID 23618275

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
SMILESNC(CCC(=O)O)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;/m0./s1
InChIKeyRVEWUBJVAHOGKA-WCCKRBBISA-N
MW321.33 g/mol
LogP-2.29
Rot. Bonds9

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid (PubChem CID 23618275) has the molecular formula C11H23N5O6 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
PubChem CID23618275
Molecular FormulaC11H23N5O6
Molecular Weight321.33 g/mol
Exact Mass321.16
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
SMILESNC(CCC(=O)O)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;/m0./s1
InChIKeyRVEWUBJVAHOGKA-WCCKRBBISA-N
XLogP-2.29
TPSA228.34 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 5-2.29
H-Bond Donors ≤ 57
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

(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 3081032
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87266473
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22328371
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid (CID 23618275) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid is NC(CCC(=O)O)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid?
The InChIKey is RVEWUBJVAHOGKA-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid has a molecular weight of 321.33 g/mol, XLogP of -2.29, 9 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid is sourced from PubChem (CID 23618275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).