2-(dipropylamino)acetic acid

C8H17NO2 — CID 10236027

IUPAC2-(dipropylamino)acetic acid
SMILESCCCN(CCC)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-3-5-9(6-4-2)7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyKSRBEBKFXYLKHC-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds6

About 2-(dipropylamino)acetic acid

2-(dipropylamino)acetic acid (PubChem CID 10236027) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(dipropylamino)acetic acid.

Molecular Properties

Compound Name2-(dipropylamino)acetic acid
PubChem CID10236027
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(dipropylamino)acetic acid
SMILESCCCN(CCC)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-3-5-9(6-4-2)7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyKSRBEBKFXYLKHC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)acetic acid?
The IUPAC name of 2-(dipropylamino)acetic acid (CID 10236027) is 2-(dipropylamino)acetic acid.
What is the SMILES notation for 2-(dipropylamino)acetic acid?
The canonical SMILES for 2-(dipropylamino)acetic acid is CCCN(CCC)CC(=O)O.
What is the InChIKey of 2-(dipropylamino)acetic acid?
The InChIKey is KSRBEBKFXYLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-9(6-4-2)7-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-(dipropylamino)acetic acid?
2-(dipropylamino)acetic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)acetic acid is sourced from PubChem (CID 10236027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).