2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid

C18H33N3O3 — CID 122000847

IUPAC2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CCCC(C(C)C)C2)C1
InChIInChI=1S/C18H33N3O3/c1-4-21(11-17(22)23)16-9-15(10-16)20-18(24)19-14-7-5-6-13(8-14)12(2)3/h12-16H,4-11H2,1-3H3,(H,22,23)(H2,19,20,24)
InChIKeyAXKFFQLACAIGCF-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.44
Rot. Bonds7

About 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122000847) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122000847
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CCCC(C(C)C)C2)C1
InChIInChI=1S/C18H33N3O3/c1-4-21(11-17(22)23)16-9-15(10-16)20-18(24)19-14-7-5-6-13(8-14)12(2)3/h12-16H,4-11H2,1-3H3,(H,22,23)(H2,19,20,24)
InChIKeyAXKFFQLACAIGCF-UHFFFAOYSA-N
XLogP2.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]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

2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[ethyl-[3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122016603
2-[ethyl-[3-[(2-pentan-3-yloxan-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009364
2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122000564
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122013452
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122015286
2-[[3-[(2,3-dimethylcyclohexyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012717
2-[[3-[2-(azepan-1-yl)propanoylamino]cyclobutyl]-ethylamino]acetic acid
CID 128996384
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122000847) is 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NC2CCCC(C(C)C)C2)C1.
What is the InChIKey of 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is AXKFFQLACAIGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-21(11-17(22)23)16-9-15(10-16)20-18(24)19-14-7-5-6-13(8-14)12(2)3/h12-16H,4-11H2,1-3H3,(H,22,23)(H2,19,20,24).
What are the key properties of 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 339.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122000847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).