3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid

C12H26N2O2 — CID 43538375

IUPAC3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
SMILESCC(CNCCN(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)7-6-13-8-11(5)12(15)16/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyFNPSSKPQBXMPOA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.42
Rot. Bonds8

About 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid

3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid (PubChem CID 43538375) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
PubChem CID43538375
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
SMILESCC(CNCCN(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)7-6-13-8-11(5)12(15)16/h9-11,13H,6-8H2,1-5H3,(H,15,16)
InChIKeyFNPSSKPQBXMPOA-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074
5-[2-[di(propan-2-yl)amino]ethylamino]pentanamide
CID 114281581
1-(2-aminoethyl)-3-[2-[di(propan-2-yl)amino]ethyl]urea;2,2,2-trifluoroacetic acid
CID 87451578
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 28568651
N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81094464
2-[5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894031
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid (CID 43538375) is 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid is CC(CNCCN(C(C)C)C(C)C)C(=O)O.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid?
The InChIKey is FNPSSKPQBXMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)7-6-13-8-11(5)12(15)16/h9-11,13H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid?
3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 43538375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).