3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid

C15H27NO4 — CID 103162128

IUPAC3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
SMILESCCOC1CC(CC(=O)NC(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-5-20-11-6-10(7-11)8-13(17)16-12(9-14(18)19)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDDWMMWDUHOIWDT-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.20
Rot. Bonds7

About 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid (PubChem CID 103162128) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
PubChem CID103162128
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
SMILESCCOC1CC(CC(=O)NC(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-5-20-11-6-10(7-11)8-13(17)16-12(9-14(18)19)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDDWMMWDUHOIWDT-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 136533576
5-[(3-Hydroxycyclobutyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 65976009
4,4-Dimethyl-3-[(5-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 81994732
6-[[2-(3-Ethoxycyclobutyl)acetyl]amino]hexanoic acid
CID 103161691
2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103161700
3-[[2-(3-Ethoxycyclobutyl)acetyl]amino]propanoic acid
CID 103161704
4-[[2-(3-Ethoxycyclobutyl)acetyl]amino]butanoic acid
CID 103161705
2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]propanoic acid
CID 103161707
2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3-methylpentanoic acid
CID 103161715
7-[[2-(3-Ethoxycyclobutyl)acetyl]amino]heptanoic acid
CID 103161750
3-[[2-(3-Ethoxycyclobutyl)acetyl]amino]butanoic acid
CID 103161763
2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103161768

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid (CID 103162128) is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid is CCOC1CC(CC(=O)NC(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid?
The InChIKey is DDWMMWDUHOIWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-20-11-6-10(7-11)8-13(17)16-12(9-14(18)19)15(2,3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid?
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 103162128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).