(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid

C12H25N5O6 — CID 157154468

IUPAC(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
SMILESNC(N)=NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H16N4O2.C5H9NO4/c8-5(6(12)13)3-1-2-4-11-7(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKeyALQLJHXDHABZKV-RVZXSAGBSA-N
MW335.36 g/mol
LogP-1.89
Rot. Bonds10

About (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid

(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid (PubChem CID 157154468) has the molecular formula C12H25N5O6 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
PubChem CID157154468
Molecular FormulaC12H25N5O6
Molecular Weight335.36 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
SMILESNC(N)=NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H16N4O2.C5H9NO4/c8-5(6(12)13)3-1-2-4-11-7(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKeyALQLJHXDHABZKV-RVZXSAGBSA-N
XLogP-1.89
TPSA228.34 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 5-1.89
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-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 3081032
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87266473
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;2-aminoheptanedioic acid;(2S)-2-amino-4-methylpentanoic acid
CID 87962576
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid?
The IUPAC name of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid (CID 157154468) is (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid.
What is the SMILES notation for (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid?
The canonical SMILES for (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid is NC(N)=NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid?
The InChIKey is ALQLJHXDHABZKV-RVZXSAGBSA-N. The full InChI is InChI=1S/C7H16N4O2.C5H9NO4/c8-5(6(12)13)3-1-2-4-11-7(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1.
What are the key properties of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid?
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid has a molecular weight of 335.36 g/mol, XLogP of -1.89, 10 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid is sourced from PubChem (CID 157154468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).