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

C14H25NO4 — CID 103161768

IUPAC2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-5-19-10-6-9(7-10)8-11(16)15-12(13(17)18)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyRXDPMNMHOCWZHA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.81
Rot. Bonds6

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

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103161768) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103161768
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCCOC1CC(CC(=O)NC(C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-5-19-10-6-9(7-10)8-11(16)15-12(13(17)18)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyRXDPMNMHOCWZHA-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-[(6-oxo-6-propan-2-yloxyhexanoyl)amino]butanoic acid
CID 58235473
2-[5,6-Bis[(dihydroxyamino)oxy]hexanoylamino]-3-methylpentanoic acid
CID 89255195
2-[[2-(Oxan-4-yl)acetyl]amino]butanoic acid
CID 110837444
2-[(3-Methoxycyclopentanecarbonyl)amino]propanoic acid
CID 123603521
(2R)-2-[[(1R,3R)-3-methoxycyclopentanecarbonyl]amino]propanoic acid
CID 130394627
2-[[(5R)-5,6-dihydroxyhexanoyl]amino]-3-methylbutanoic acid
CID 155201892
3-Methyl-2-[(6-oxo-6-propan-2-yloxyhexanoyl)amino]butanoic acid;sulfane
CID 158491882
5-[(1-Ethoxy-1-oxopropan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934597
2-[[5-(Aminomethyl)oxolane-2-carbonyl]amino]-3-methylbutanoic acid
CID 80009465
2-[[5-(Aminomethyl)oxolane-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 80009639
(2S)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-methylbutanoic acid
CID 80009720
(2S,3S)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 80009891

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 103161768) is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid is CCOC1CC(CC(=O)NC(C(=O)O)C(C)(C)C)C1.
What is the InChIKey of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is RXDPMNMHOCWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-19-10-6-9(7-10)8-11(16)15-12(13(17)18)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.81, 6 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]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103161768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).