2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid

C13H23NO4 — CID 103161700

IUPAC2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)C)C1
InChIInChI=1S/C13H23NO4/c1-4-18-10-5-9(6-10)7-11(15)14-12(8(2)3)13(16)17/h8-10,12H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHLTYFCFGTRSPFK-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.42
Rot. Bonds7

About 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 103161700) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
PubChem CID103161700
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)C)C1
InChIInChI=1S/C13H23NO4/c1-4-18-10-5-9(6-10)7-11(15)14-12(8(2)3)13(16)17/h8-10,12H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHLTYFCFGTRSPFK-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 103162049
(2S)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 18654162
ethyl 2-[[(5R)-6-amino-5-hydroxyhexanoyl]amino]acetate
CID 46834345
3-Methyl-2-[(6-oxo-6-propan-2-yloxyhexanoyl)amino]butanoic acid
CID 58235473
2-(5,6-Dinitrooxyhexanoylamino)-3-methylpentanoic acid
CID 59287611
5-[[(2S)-1-butoxy-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 89014185
2-[5,6-Bis[(dihydroxyamino)oxy]hexanoylamino]-3-methylpentanoic acid
CID 89255195
2-[[2-(Oxan-4-yl)acetyl]amino]butanoic acid
CID 110837444
(2R)-2-[[(1R,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117608245
3-Methyl-2-(5-nitrooxyheptanoylamino)pentanoic acid
CID 117612438
2-[[(1S,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117690311
2-[[(1R,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117690534

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid (CID 103161700) is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid is CCOC1CC(CC(=O)NC(C(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is HLTYFCFGTRSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-18-10-5-9(6-10)7-11(15)14-12(8(2)3)13(16)17/h8-10,12H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid?
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 103161700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).