ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate

C14H25NO3 — CID 116538310

IUPACethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
SMILESCCOC(=O)C(C(=O)NC1(C)CCC1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-18-12(17)10(13(2,3)4)11(16)15-14(5)8-7-9-14/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyBLXCXKLBOLLVFP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds4

About ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate

ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate (PubChem CID 116538310) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
PubChem CID116538310
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
SMILESCCOC(=O)C(C(=O)NC1(C)CCC1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-18-12(17)10(13(2,3)4)11(16)15-14(5)8-7-9-14/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyBLXCXKLBOLLVFP-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate 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

ethyl 3,3-dimethyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]butanoate
CID 116537961
ethyl 2-[(1-methoxycyclobutyl)methylcarbamoyl]-3,3-dimethylbutanoate
CID 104918410
2,3,3-trimethyl-N-(1-methylcyclobutyl)butanamide
CID 146286414
ethyl 3,3-dimethyl-2-(3-methylbutylcarbamoyl)butanoate
CID 116537631
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
CID 103950943
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949
ethyl 2-[(1,1-dioxothian-3-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116538085
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
ethyl 2-[(2,2-dimethyloxan-4-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116538247
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023
ethyl 3,3-dimethyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]butanoate
CID 116538089
ethyl 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-3,3-dimethylbutanoate
CID 116537897

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate?
The IUPAC name of ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate (CID 116538310) is ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate.
What is the SMILES notation for ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate?
The canonical SMILES for ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate is CCOC(=O)C(C(=O)NC1(C)CCC1)C(C)(C)C.
What is the InChIKey of ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate?
The InChIKey is BLXCXKLBOLLVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-18-12(17)10(13(2,3)4)11(16)15-14(5)8-7-9-14/h10H,6-9H2,1-5H3,(H,15,16).
What are the key properties of ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate?
ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate has a molecular weight of 255.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate is sourced from PubChem (CID 116538310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).