2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid

C9H20N4O3 — CID 142985686

IUPAC2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid
SMILESNCCCCCC(=O)NCNNCC(=O)O
InChIInChI=1S/C9H20N4O3/c10-5-3-1-2-4-8(14)11-7-13-12-6-9(15)16/h12-13H,1-7,10H2,(H,11,14)(H,15,16)
InChIKeyTZJVCHIYWUHXQJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.24
Rot. Bonds10

About 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid

2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid (PubChem CID 142985686) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid
PubChem CID142985686
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid
SMILESNCCCCCC(=O)NCNNCC(=O)O
InChIInChI=1S/C9H20N4O3/c10-5-3-1-2-4-8(14)11-7-13-12-6-9(15)16/h12-13H,1-7,10H2,(H,11,14)(H,15,16)
InChIKeyTZJVCHIYWUHXQJ-UHFFFAOYSA-N
XLogP-1.24
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(7-aminoheptanoylamino)acetic acid
CID 18934956
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
6-aminohexanoic acid;zinc
CID 175049463
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
heptanedioic acid;hexane-1,6-diamine
CID 174639050

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid?
The IUPAC name of 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid (CID 142985686) is 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid.
What is the SMILES notation for 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid?
The canonical SMILES for 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid is NCCCCCC(=O)NCNNCC(=O)O.
What is the InChIKey of 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid?
The InChIKey is TZJVCHIYWUHXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c10-5-3-1-2-4-8(14)11-7-13-12-6-9(15)16/h12-13H,1-7,10H2,(H,11,14)(H,15,16).
What are the key properties of 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid?
2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -1.24, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-aminohexanoylamino)methyl]hydrazinyl]acetic acid is sourced from PubChem (CID 142985686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).