2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid

C15H23NO3 — CID 84746584

IUPAC2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCCCN(CCC)C(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-16(10-5-2)14(15(17)18)12-7-6-8-13(11-12)19-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyKEDZXLKKOGSZHM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.94
Rot. Bonds8

About 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid

2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid (PubChem CID 84746584) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
PubChem CID84746584
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCCCN(CCC)C(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-16(10-5-2)14(15(17)18)12-7-6-8-13(11-12)19-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyKEDZXLKKOGSZHM-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
3-[[carboxy-(3-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 84748312
2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63701640
2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63689483
2-[butyl(methyl)amino]-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84748524
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-[formyl(propyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104777
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-(3-methoxyphenyl)hexan-3-one
CID 83047977

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid (CID 84746584) is 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid is CCCN(CCC)C(C(=O)O)c1cccc(OC)c1.
What is the InChIKey of 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid?
The InChIKey is KEDZXLKKOGSZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-16(10-5-2)14(15(17)18)12-7-6-8-13(11-12)19-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid?
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).