2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid

C10H21NO4 — CID 62821128

IUPAC2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(CCOCCO)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-4-11(5-7-15-8-6-12)10(2,3)9(13)14/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyAFWFOPSWCRMTQL-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.18
Rot. Bonds8

About 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid (PubChem CID 62821128) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
PubChem CID62821128
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(CCOCCO)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-4-11(5-7-15-8-6-12)10(2,3)9(13)14/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyAFWFOPSWCRMTQL-UHFFFAOYSA-N
XLogP0.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
CID 79269476
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[2-(4-bromophenoxy)ethyl-ethylamino]-2-methylpropanoic acid
CID 62821363
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
CID 175688444
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 114263827
2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
2-[3-(3,5-dimethylphenoxy)propyl-ethylamino]-2-methylpropanoic acid
CID 62821867
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid (CID 62821128) is 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid is CCN(CCOCCO)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is AFWFOPSWCRMTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-11(5-7-15-8-6-12)10(2,3)9(13)14/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).