2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid

C8H19N5O4 — CID 22328371

IUPAC2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H14N4O2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)
InChIKeyIVNJKQPHHPMONX-UHFFFAOYSA-N
MW249.27 g/mol
LogP-2.52
Rot. Bonds6

About 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 22328371) has the molecular formula C8H19N5O4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
PubChem CID22328371
Molecular FormulaC8H19N5O4
Molecular Weight249.27 g/mol
Exact Mass249.14
IUPAC Name2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCCC(N)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H14N4O2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)
InChIKeyIVNJKQPHHPMONX-UHFFFAOYSA-N
XLogP-2.52
TPSA191.04 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.27
LogP ≤ 5-2.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

bis(2-aminoacetic acid);2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 18362551
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
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
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
CID 122439105
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioic acid
CID 23618275

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid (CID 22328371) is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is IVNJKQPHHPMONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid?
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 249.27 g/mol, XLogP of -2.52, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 22328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).