2-(dipropylamino)-2-methylpropanoic acid

C10H21NO2 — CID 20985307

IUPAC2-(dipropylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(3,4)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyNCMBELTYNQKDOP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds6

About 2-(dipropylamino)-2-methylpropanoic acid

2-(dipropylamino)-2-methylpropanoic acid (PubChem CID 20985307) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(dipropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-2-methylpropanoic acid
PubChem CID20985307
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(dipropylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(3,4)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyNCMBELTYNQKDOP-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(dipropylamino)-2-methylpropanoic acid (CID 20985307) is 2-(dipropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(dipropylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(dipropylamino)-2-methylpropanoic acid is CCCN(CCC)C(C)(C)C(=O)O.
What is the InChIKey of 2-(dipropylamino)-2-methylpropanoic acid?
The InChIKey is NCMBELTYNQKDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-11(8-6-2)10(3,4)9(12)13/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-(dipropylamino)-2-methylpropanoic acid?
2-(dipropylamino)-2-methylpropanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 20985307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).