2-(2-acetamidoethyl)-3-hydroxypentanoic acid

C9H17NO4 — CID 123934481

IUPAC2-(2-acetamidoethyl)-3-hydroxypentanoic acid
SMILESCCC(O)C(CCNC(C)=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-8(12)7(9(13)14)4-5-10-6(2)11/h7-8,12H,3-5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyYKJICEVGZLYAJP-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds6

About 2-(2-acetamidoethyl)-3-hydroxypentanoic acid

2-(2-acetamidoethyl)-3-hydroxypentanoic acid (PubChem CID 123934481) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-acetamidoethyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(2-acetamidoethyl)-3-hydroxypentanoic acid
PubChem CID123934481
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(2-acetamidoethyl)-3-hydroxypentanoic acid
SMILESCCC(O)C(CCNC(C)=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-8(12)7(9(13)14)4-5-10-6(2)11/h7-8,12H,3-5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyYKJICEVGZLYAJP-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethyl)-3-hydroxypentanoic acid?
The IUPAC name of 2-(2-acetamidoethyl)-3-hydroxypentanoic acid (CID 123934481) is 2-(2-acetamidoethyl)-3-hydroxypentanoic acid.
What is the SMILES notation for 2-(2-acetamidoethyl)-3-hydroxypentanoic acid?
The canonical SMILES for 2-(2-acetamidoethyl)-3-hydroxypentanoic acid is CCC(O)C(CCNC(C)=O)C(=O)O.
What is the InChIKey of 2-(2-acetamidoethyl)-3-hydroxypentanoic acid?
The InChIKey is YKJICEVGZLYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-8(12)7(9(13)14)4-5-10-6(2)11/h7-8,12H,3-5H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-(2-acetamidoethyl)-3-hydroxypentanoic acid?
2-(2-acetamidoethyl)-3-hydroxypentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 123934481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).