2-[butyl-[2-(butylamino)ethyl]amino]acetic acid

C12H26N2O2 — CID 102514170

IUPAC2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
SMILESCCCCNCCN(CCCC)CC(=O)O
InChIInChI=1S/C12H26N2O2/c1-3-5-7-13-8-10-14(9-6-4-2)11-12(15)16/h13H,3-11H2,1-2H3,(H,15,16)
InChIKeyYQQDPSIRSFMXNS-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.56
Rot. Bonds11

About 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid

2-[butyl-[2-(butylamino)ethyl]amino]acetic acid (PubChem CID 102514170) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
PubChem CID102514170
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
SMILESCCCCNCCN(CCCC)CC(=O)O
InChIInChI=1S/C12H26N2O2/c1-3-5-7-13-8-10-14(9-6-4-2)11-12(15)16/h13H,3-11H2,1-2H3,(H,15,16)
InChIKeyYQQDPSIRSFMXNS-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-[bis(carboxymethyl)amino]acetic acid);N-tetradecyltetradecan-1-amine
CID 158230868
3-[2-[butyl(2-carboxyethyl)amino]ethylamino]propanoic acid
CID 18730704
2-[carboxymethyl-[2-[2-[carboxymethyl-(2-hexoxy-2-oxoethyl)amino]ethylamino]ethyl]amino]acetic acid
CID 91576215
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
CID 139906477
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid (CID 102514170) is 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid is CCCCNCCN(CCCC)CC(=O)O.
What is the InChIKey of 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid?
The InChIKey is YQQDPSIRSFMXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-7-13-8-10-14(9-6-4-2)11-12(15)16/h13H,3-11H2,1-2H3,(H,15,16).
What are the key properties of 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid?
2-[butyl-[2-(butylamino)ethyl]amino]acetic acid has a molecular weight of 230.35 g/mol, XLogP of 1.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(butylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 102514170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).