2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid

C11H24N2O3 — CID 174821271

IUPAC2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid
SMILESCCCCCC(N)(C(=O)O)N(CC)CCO
InChIInChI=1S/C11H24N2O3/c1-3-5-6-7-11(12,10(15)16)13(4-2)8-9-14/h14H,3-9,12H2,1-2H3,(H,15,16)
InChIKeyZDYGWHSFSNFXKA-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.62
Rot. Bonds9

About 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid

2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid (PubChem CID 174821271) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid
PubChem CID174821271
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid
SMILESCCCCCC(N)(C(=O)O)N(CC)CCO
InChIInChI=1S/C11H24N2O3/c1-3-5-6-7-11(12,10(15)16)13(4-2)8-9-14/h14H,3-9,12H2,1-2H3,(H,15,16)
InChIKeyZDYGWHSFSNFXKA-UHFFFAOYSA-N
XLogP0.62
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87233071
(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87200728
2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
CID 18668446
2-[19-(2-aminoethyl)heptatriacontan-19-yl-(2-hydroxyethyl)amino]ethanol
CID 87653740
2-amino-2-octadecylicosanoic acid
CID 18935913
2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
CID 174803700
2-[bis(2-hydroxyethyl)carbamoyl]-2-methylhexadecanoic acid
CID 101279151
2-amino-2-[methyl(pentyl)amino]-3-sulfanylpropanoic acid
CID 175305283
2-butyl-2-[dodecyl-[2-[dodecyl(2-hydroxyethyl)amino]ethyl]amino]heptanoic acid
CID 129286364
2-amino-2-(dimethylamino)pentanoic acid
CID 87316301
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-sulfooctadecanoic acid
CID 173041865

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid?
The IUPAC name of 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid (CID 174821271) is 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid.
What is the SMILES notation for 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid?
The canonical SMILES for 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid is CCCCCC(N)(C(=O)O)N(CC)CCO.
What is the InChIKey of 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid?
The InChIKey is ZDYGWHSFSNFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-5-6-7-11(12,10(15)16)13(4-2)8-9-14/h14H,3-9,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid?
2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid is sourced from PubChem (CID 174821271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).