4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid

C14H29NO3 — CID 63068638

IUPAC4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C14H29NO3/c1-6-18-13(14(16)17)7-8-15(9-11(2)3)10-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyZCVKLXBUTBXHKH-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.48
Rot. Bonds10

About 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid

4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid (PubChem CID 63068638) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
PubChem CID63068638
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C14H29NO3/c1-6-18-13(14(16)17)7-8-15(9-11(2)3)10-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyZCVKLXBUTBXHKH-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
4-bromo-2-ethoxybutanoic acid
CID 174871505
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid (CID 63068638) is 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(CC(C)C)CC(C)C)C(=O)O.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid?
The InChIKey is ZCVKLXBUTBXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-18-13(14(16)17)7-8-15(9-11(2)3)10-12(4)5/h11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid?
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid has a molecular weight of 259.39 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 63068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).