5-(aminomethylideneamino)pentanoic acid

C6H12N2O2 — CID 142073691

IUPAC5-(aminomethylideneamino)pentanoic acid
SMILESN/C=N/CCCCC(=O)O
InChIInChI=1S/C6H12N2O2/c7-5-8-4-2-1-3-6(9)10/h5H,1-4H2,(H2,7,8)(H,9,10)
InChIKeyARFVMTFKWMMAHM-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.23
Rot. Bonds5

About 5-(aminomethylideneamino)pentanoic acid

5-(aminomethylideneamino)pentanoic acid (PubChem CID 142073691) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-(aminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name5-(aminomethylideneamino)pentanoic acid
PubChem CID142073691
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-(aminomethylideneamino)pentanoic acid
SMILESN/C=N/CCCCC(=O)O
InChIInChI=1S/C6H12N2O2/c7-5-8-4-2-1-3-6(9)10/h5H,1-4H2,(H2,7,8)(H,9,10)
InChIKeyARFVMTFKWMMAHM-UHFFFAOYSA-N
XLogP0.23
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
(E)-7-(aminomethylideneamino)-6-methylhept-5-enoic acid;ethane
CID 142831800
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethylideneamino)pentanoic acid?
The IUPAC name of 5-(aminomethylideneamino)pentanoic acid (CID 142073691) is 5-(aminomethylideneamino)pentanoic acid.
What is the SMILES notation for 5-(aminomethylideneamino)pentanoic acid?
The canonical SMILES for 5-(aminomethylideneamino)pentanoic acid is N/C=N/CCCCC(=O)O.
What is the InChIKey of 5-(aminomethylideneamino)pentanoic acid?
The InChIKey is ARFVMTFKWMMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5-8-4-2-1-3-6(9)10/h5H,1-4H2,(H2,7,8)(H,9,10).
What are the key properties of 5-(aminomethylideneamino)pentanoic acid?
5-(aminomethylideneamino)pentanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethylideneamino)pentanoic acid is sourced from PubChem (CID 142073691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).