4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid

C12H21NO4 — CID 103161705

IUPAC4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCCOC1CC(CC(=O)NCCCC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-17-10-6-9(7-10)8-11(14)13-5-3-4-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyRJKNUWULTSZONV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds8

About 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid

4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid (PubChem CID 103161705) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
PubChem CID103161705
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCCOC1CC(CC(=O)NCCCC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-17-10-6-9(7-10)8-11(14)13-5-3-4-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyRJKNUWULTSZONV-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-hydroxycyclobutyl)acetamide
CID 129280943
4-[(4-Methoxycyclohexanecarbonyl)amino]butanoic acid
CID 145818857
2-(3-hydroxycyclobutyl)-N-propylacetamide
CID 170235586
3-Methyl-5-oxo-5-(3-propan-2-yloxypropylamino)pentanoic acid
CID 62964549
5-[(4-Ethoxy-4-oxobutyl)amino]-3-methyl-5-oxopentanoic acid
CID 64577495
5-[(3-Hydroxycyclobutyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 65970850
5-[(3-Hydroxycyclobutyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 65973773
3-[[[5-(Aminomethyl)oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 81073407
2-Methyl-4-[(5-methyloxolane-2-carbonyl)amino]butanoic acid
CID 81325102
3-Methyl-4-[(5-methyloxolane-2-carbonyl)amino]butanoic acid
CID 81325347
3-[[(5-Methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 81329694
N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161429

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid (CID 103161705) is 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid is CCOC1CC(CC(=O)NCCCC(=O)O)C1.
What is the InChIKey of 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The InChIKey is RJKNUWULTSZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-10-6-9(7-10)8-11(14)13-5-3-4-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 103161705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).