4-(dibenzylamino)-2-ethoxybutanoic acid

C20H25NO3 — CID 130158595

IUPAC4-(dibenzylamino)-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO3/c1-2-24-19(20(22)23)13-14-21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,23)
InChIKeyPVCAKCKPZZCUMO-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds10

About 4-(dibenzylamino)-2-ethoxybutanoic acid

4-(dibenzylamino)-2-ethoxybutanoic acid (PubChem CID 130158595) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(dibenzylamino)-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-(dibenzylamino)-2-ethoxybutanoic acid
PubChem CID130158595
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(dibenzylamino)-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO3/c1-2-24-19(20(22)23)13-14-21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,23)
InChIKeyPVCAKCKPZZCUMO-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
2-ethoxy-3-phenylpropanoic acid
CID 54403311
4-[(2-bromophenyl)methyl-methylamino]-2-ethoxybutanoic acid
CID 55148053
2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 63073004
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067599
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
(2S)-3-[4-[2-[benzyl(methyl)amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 11187872
4-bromo-2-ethoxybutanoic acid
CID 174871505

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-2-ethoxybutanoic acid?
The IUPAC name of 4-(dibenzylamino)-2-ethoxybutanoic acid (CID 130158595) is 4-(dibenzylamino)-2-ethoxybutanoic acid.
What is the SMILES notation for 4-(dibenzylamino)-2-ethoxybutanoic acid?
The canonical SMILES for 4-(dibenzylamino)-2-ethoxybutanoic acid is CCOC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)O.
What is the InChIKey of 4-(dibenzylamino)-2-ethoxybutanoic acid?
The InChIKey is PVCAKCKPZZCUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-24-19(20(22)23)13-14-21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,23).
What are the key properties of 4-(dibenzylamino)-2-ethoxybutanoic acid?
4-(dibenzylamino)-2-ethoxybutanoic acid has a molecular weight of 327.42 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-2-ethoxybutanoic acid is sourced from PubChem (CID 130158595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).