4-[di(propan-2-yl)amino]butanoic acid

C10H21NO2 — CID 19900411

IUPAC4-[di(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)11(9(3)4)7-5-6-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyVGQMKNMFVBTTOY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds6

About 4-[di(propan-2-yl)amino]butanoic acid

4-[di(propan-2-yl)amino]butanoic acid (PubChem CID 19900411) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]butanoic acid
PubChem CID19900411
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[di(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)11(9(3)4)7-5-6-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyVGQMKNMFVBTTOY-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 4-[di(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[di(propan-2-yl)amino]butanoic acid (CID 19900411) is 4-[di(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[di(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[di(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]butanoic acid?
The InChIKey is VGQMKNMFVBTTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)11(9(3)4)7-5-6-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[di(propan-2-yl)amino]butanoic acid?
4-[di(propan-2-yl)amino]butanoic 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 4-[di(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 19900411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).