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

C10H19NO3 — CID 43269340

IUPAC4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(C(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-7-11(8(2)3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFWXLBFRILZLLLQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds6

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

4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid (PubChem CID 43269340) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid
PubChem CID43269340
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(C(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO3/c1-4-7-11(8(2)3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFWXLBFRILZLLLQ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid (CID 43269340) is 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid is CCCN(C(=O)CCC(=O)O)C(C)C.
What is the InChIKey of 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid?
The InChIKey is FWXLBFRILZLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7-11(8(2)3)9(12)5-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid?
4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[propan-2-yl(propyl)amino]butanoic acid is sourced from PubChem (CID 43269340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).