2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C19H33N3O4 — CID 122004400

IUPAC2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOC1CC(NC(=O)NC2CC(N(CC)CC(=O)O)C2)C12CCCC2
InChIInChI=1S/C19H33N3O4/c1-3-22(12-17(23)24)14-9-13(10-14)20-18(25)21-15-11-16(26-4-2)19(15)7-5-6-8-19/h13-16H,3-12H2,1-2H3,(H,23,24)(H2,20,21,25)
InChIKeyXRFUABCEJGOWAD-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.96
Rot. Bonds8

About 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122004400) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122004400
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOC1CC(NC(=O)NC2CC(N(CC)CC(=O)O)C2)C12CCCC2
InChIInChI=1S/C19H33N3O4/c1-3-22(12-17(23)24)14-9-13(10-14)20-18(25)21-15-11-16(26-4-2)19(15)7-5-6-8-19/h13-16H,3-12H2,1-2H3,(H,23,24)(H2,20,21,25)
InChIKeyXRFUABCEJGOWAD-UHFFFAOYSA-N
XLogP1.96
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122004397
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124608539
2-[[3-[(1-cyclopropylcyclobutyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007560
2-[ethyl-[3-[(2-hydroxy-1-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122026326
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122000564
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849960

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122004400) is 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCOC1CC(NC(=O)NC2CC(N(CC)CC(=O)O)C2)C12CCCC2.
What is the InChIKey of 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is XRFUABCEJGOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-3-22(12-17(23)24)14-9-13(10-14)20-18(25)21-15-11-16(26-4-2)19(15)7-5-6-8-19/h13-16H,3-12H2,1-2H3,(H,23,24)(H2,20,21,25).
What are the key properties of 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 367.49 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122004400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).