1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

C19H32N2O5 — CID 120699357

IUPAC1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CC(C)NC(=O)C2CCCC2)(C(=O)O)C1(C)C
InChIInChI=1S/C19H32N2O5/c1-5-26-14-11-19(17(24)25,18(14,3)4)21-15(22)10-12(2)20-16(23)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyTXBZROFFLNBUHX-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.85
Rot. Bonds8

About 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120699357) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120699357
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)CC(C)NC(=O)C2CCCC2)(C(=O)O)C1(C)C
InChIInChI=1S/C19H32N2O5/c1-5-26-14-11-19(17(24)25,18(14,3)4)21-15(22)10-12(2)20-16(23)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyTXBZROFFLNBUHX-UHFFFAOYSA-N
XLogP1.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic 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

1-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700047
3-ethoxy-2,2-dimethyl-1-[[2-(3-methylcyclohexyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700400
3-ethoxy-1-(3-ethylheptanoylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700585
1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700240
3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid
CID 120699517
3-ethoxy-2,2-dimethyl-1-[(2-methylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 120700341
3-ethoxy-1-[3-(4-ethylphenyl)butanoylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699687
3-ethoxy-2,2-dimethyl-1-(3-phenylpentanoylamino)cyclobutane-1-carboxylic acid
CID 120700233
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699966

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120699357) is 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)CC(C)NC(=O)C2CCCC2)(C(=O)O)C1(C)C.
What is the InChIKey of 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is TXBZROFFLNBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-5-26-14-11-19(17(24)25,18(14,3)4)21-15(22)10-12(2)20-16(23)13-8-6-7-9-13/h12-14H,5-11H2,1-4H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 368.47 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120699357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).