2-(dipropylamino)-4-methoxybutanoic acid

C11H23NO3 — CID 79694443

IUPAC2-(dipropylamino)-4-methoxybutanoic acid
SMILESCCCN(CCC)C(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-7-12(8-5-2)10(11(13)14)6-9-15-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyQJDGWDICQLSPFH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds9

About 2-(dipropylamino)-4-methoxybutanoic acid

2-(dipropylamino)-4-methoxybutanoic acid (PubChem CID 79694443) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(dipropylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-4-methoxybutanoic acid
PubChem CID79694443
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(dipropylamino)-4-methoxybutanoic acid
SMILESCCCN(CCC)C(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-7-12(8-5-2)10(11(13)14)6-9-15-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyQJDGWDICQLSPFH-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 103224693
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
2-(didecylamino)pentanoic acid
CID 101314079
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
(2R)-6-(butanoylamino)-2-(dipropylamino)hexanoic acid
CID 58100811
3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(dipropylamino)-4-methoxybutanoic acid (CID 79694443) is 2-(dipropylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(dipropylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(dipropylamino)-4-methoxybutanoic acid is CCCN(CCC)C(CCOC)C(=O)O.
What is the InChIKey of 2-(dipropylamino)-4-methoxybutanoic acid?
The InChIKey is QJDGWDICQLSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-7-12(8-5-2)10(11(13)14)6-9-15-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(dipropylamino)-4-methoxybutanoic acid?
2-(dipropylamino)-4-methoxybutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 79694443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).