2-[4-aminobutyl(methyl)amino]acetic acid;azane

C7H19N3O2 — CID 172717710

IUPAC2-[4-aminobutyl(methyl)amino]acetic acid;azane
SMILESCN(CCCCN)CC(=O)O.N
InChIInChI=1S/C7H16N2O2.H3N/c1-9(6-7(10)11)5-3-2-4-8;/h2-6,8H2,1H3,(H,10,11);1H3
InChIKeyGBZKBFXZQGSRAL-UHFFFAOYSA-N
MW177.25 g/mol
LogP-0.10
Rot. Bonds6

About 2-[4-aminobutyl(methyl)amino]acetic acid;azane

2-[4-aminobutyl(methyl)amino]acetic acid;azane (PubChem CID 172717710) has the molecular formula C7H19N3O2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[4-aminobutyl(methyl)amino]acetic acid;azane.

Molecular Properties

Compound Name2-[4-aminobutyl(methyl)amino]acetic acid;azane
PubChem CID172717710
Molecular FormulaC7H19N3O2
Molecular Weight177.25 g/mol
Exact Mass177.15
IUPAC Name2-[4-aminobutyl(methyl)amino]acetic acid;azane
SMILESCN(CCCCN)CC(=O)O.N
InChIInChI=1S/C7H16N2O2.H3N/c1-9(6-7(10)11)5-3-2-4-8;/h2-6,8H2,1H3,(H,10,11);1H3
InChIKeyGBZKBFXZQGSRAL-UHFFFAOYSA-N
XLogP-0.10
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[methyl(propyl)amino]acetic acid;pentan-1-amine
CID 175371891
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[methyl(20-oxoicosyl)amino]acetic acid
CID 91508030
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
6-aminohexyl(carboxy)carbamic acid
CID 175058839

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutyl(methyl)amino]acetic acid;azane?
The IUPAC name of 2-[4-aminobutyl(methyl)amino]acetic acid;azane (CID 172717710) is 2-[4-aminobutyl(methyl)amino]acetic acid;azane.
What is the SMILES notation for 2-[4-aminobutyl(methyl)amino]acetic acid;azane?
The canonical SMILES for 2-[4-aminobutyl(methyl)amino]acetic acid;azane is CN(CCCCN)CC(=O)O.N.
What is the InChIKey of 2-[4-aminobutyl(methyl)amino]acetic acid;azane?
The InChIKey is GBZKBFXZQGSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.H3N/c1-9(6-7(10)11)5-3-2-4-8;/h2-6,8H2,1H3,(H,10,11);1H3.
What are the key properties of 2-[4-aminobutyl(methyl)amino]acetic acid;azane?
2-[4-aminobutyl(methyl)amino]acetic acid;azane has a molecular weight of 177.25 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutyl(methyl)amino]acetic acid;azane is sourced from PubChem (CID 172717710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).