4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid

C9H17NO4 — CID 20722179

IUPAC4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CCO)C(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-5-10(6-7-11)8(12)3-4-9(13)14/h11H,2-7H2,1H3,(H,13,14)
InChIKeyYRGBADZCIDMQPR-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.08
Rot. Bonds7

About 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid

4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid (PubChem CID 20722179) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid
PubChem CID20722179
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CCO)C(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-2-5-10(6-7-11)8(12)3-4-9(13)14/h11H,2-7H2,1H3,(H,13,14)
InChIKeyYRGBADZCIDMQPR-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid (CID 20722179) is 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid is CCCN(CCO)C(=O)CCC(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid?
The InChIKey is YRGBADZCIDMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-5-10(6-7-11)8(12)3-4-9(13)14/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid?
4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 20722179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).