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

C12H21NO4 — CID 103161763

IUPAC3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCCOC1CC(CC(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-17-10-5-9(6-10)7-11(14)13-8(2)4-12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVJOAXMICSDFOEW-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

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

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid (PubChem CID 103161763) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
PubChem CID103161763
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid
SMILESCCOC1CC(CC(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-17-10-5-9(6-10)7-11(14)13-8(2)4-12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVJOAXMICSDFOEW-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-(3-hydroxycyclobutyl)-N-propan-2-ylacetamide
CID 129257450
2-(3-hydroxycyclobutyl)-N-propan-2-ylpropanamide
CID 129257454
3-Methyl-5-oxo-5-(3-propan-2-yloxypropylamino)pentanoic acid
CID 62964549
5-[(3-Ethoxy-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965444
5-(4-Methoxybutan-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 64603386
5-[(3-Hydroxycyclobutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65975808
4-Methyl-3-[(5-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 81979541
3-[(3-Methyloxolane-2-carbonyl)amino]hexanoic acid
CID 81981167
N-(4-aminobutan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161421
N-(1-aminopentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161433
6-[[2-(3-Ethoxycyclobutyl)acetyl]amino]hexanoic acid
CID 103161691
2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3-hydroxybutanoic acid
CID 103161698

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid (CID 103161763) is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid is CCOC1CC(CC(=O)NC(C)CC(=O)O)C1.
What is the InChIKey of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
The InChIKey is VJOAXMICSDFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-10-5-9(6-10)7-11(14)13-8(2)4-12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid?
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 103161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).