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

C9H15NO4 — CID 43578457

IUPAC4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H15NO4/c11-6-5-10(7-1-2-7)8(12)3-4-9(13)14/h7,11H,1-6H2,(H,13,14)
InChIKeyBZZRUFWZCYCPIC-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds6

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

4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid (PubChem CID 43578457) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid
PubChem CID43578457
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H15NO4/c11-6-5-10(7-1-2-7)8(12)3-4-9(13)14/h7,11H,1-6H2,(H,13,14)
InChIKeyBZZRUFWZCYCPIC-UHFFFAOYSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid (CID 43578457) is 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid is O=C(O)CCC(=O)N(CCO)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid?
The InChIKey is BZZRUFWZCYCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-6-5-10(7-1-2-7)8(12)3-4-9(13)14/h7,11H,1-6H2,(H,13,14).
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid?
4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43578457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).