2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid

C12H21NO5 — CID 103161698

IUPAC2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C12H21NO5/c1-3-18-9-4-8(5-9)6-10(15)13-11(7(2)14)12(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDUIUGUANSMAKSA-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.14
Rot. Bonds7

About 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 103161698) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID103161698
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)O)C1
InChIInChI=1S/C12H21NO5/c1-3-18-9-4-8(5-9)6-10(15)13-11(7(2)14)12(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDUIUGUANSMAKSA-UHFFFAOYSA-N
XLogP0.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid (CID 103161698) is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid is CCOC1CC(CC(=O)NC(C(=O)O)C(C)O)C1.
What is the InChIKey of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is DUIUGUANSMAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-18-9-4-8(5-9)6-10(15)13-11(7(2)14)12(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 259.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).