2-[dipropylcarbamoyl(methyl)amino]acetic acid

C10H20N2O3 — CID 43135727

IUPAC2-[dipropylcarbamoyl(methyl)amino]acetic acid
SMILESCCCN(CCC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6-12(7-5-2)10(15)11(3)8-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyPJBMCIOVKCSQFX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.24
Rot. Bonds6

About 2-[dipropylcarbamoyl(methyl)amino]acetic acid

2-[dipropylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43135727) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[dipropylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dipropylcarbamoyl(methyl)amino]acetic acid
PubChem CID43135727
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[dipropylcarbamoyl(methyl)amino]acetic acid
SMILESCCCN(CCC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6-12(7-5-2)10(15)11(3)8-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyPJBMCIOVKCSQFX-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[dipropylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[dipropylcarbamoyl(methyl)amino]acetic acid (CID 43135727) is 2-[dipropylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[dipropylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[dipropylcarbamoyl(methyl)amino]acetic acid is CCCN(CCC)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[dipropylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is PJBMCIOVKCSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6-12(7-5-2)10(15)11(3)8-9(13)14/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[dipropylcarbamoyl(methyl)amino]acetic acid?
2-[dipropylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dipropylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43135727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).