2-[acetyl(propyl)amino]-3-hydroxypropanoic acid

C8H15NO4 — CID 104711278

IUPAC2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
SMILESCCCN(C(C)=O)C(CO)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-9(6(2)11)7(5-10)8(12)13/h7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyDYAULFJWSCDQJZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.31
Rot. Bonds5

About 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid

2-[acetyl(propyl)amino]-3-hydroxypropanoic acid (PubChem CID 104711278) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
PubChem CID104711278
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
SMILESCCCN(C(C)=O)C(CO)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-4-9(6(2)11)7(5-10)8(12)13/h7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyDYAULFJWSCDQJZ-UHFFFAOYSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid (CID 104711278) is 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid is CCCN(C(C)=O)C(CO)C(=O)O.
What is the InChIKey of 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid?
The InChIKey is DYAULFJWSCDQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-4-9(6(2)11)7(5-10)8(12)13/h7,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid?
2-[acetyl(propyl)amino]-3-hydroxypropanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104711278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).