2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid

C14H27NO3 — CID 64853101

IUPAC2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
SMILESCCOC1CC(NC(CC(C)C)C(=O)O)C1(C)C
InChIInChI=1S/C14H27NO3/c1-6-18-12-8-11(14(12,4)5)15-10(13(16)17)7-9(2)3/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyBUKWZFYSRRQEMK-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.28
Rot. Bonds7

About 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid

2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid (PubChem CID 64853101) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
PubChem CID64853101
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
SMILESCCOC1CC(NC(CC(C)C)C(=O)O)C1(C)C
InChIInChI=1S/C14H27NO3/c1-6-18-12-8-11(14(12,4)5)15-10(13(16)17)7-9(2)3/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyBUKWZFYSRRQEMK-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 115641518
N-cyclopropyl-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112696347
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114119108
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 115906035
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 114119196
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid (CID 64853101) is 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid is CCOC1CC(NC(CC(C)C)C(=O)O)C1(C)C.
What is the InChIKey of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid?
The InChIKey is BUKWZFYSRRQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-18-12-8-11(14(12,4)5)15-10(13(16)17)7-9(2)3/h9-12,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid?
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 64853101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).