2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid

C13H23NO4 — CID 114105289

IUPAC2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC(C)(OC)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H23NO4/c1-4-12(2,18-3)11(17)14-9-13(6-5-7-13)8-10(15)16/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQKISOSIWFHQKMH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds7

About 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 114105289) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID114105289
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC(C)(OC)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H23NO4/c1-4-12(2,18-3)11(17)14-9-13(6-5-7-13)8-10(15)16/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQKISOSIWFHQKMH-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid 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

2-[1-[[[2-(2,2,2-Trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 103206159
4-Ethyl-6-[(2-methoxyacetyl)amino]hexanoic acid
CID 64349810
4-[2-[(2-Methoxyacetyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 64359895
6-[(2-Methoxyacetyl)amino]-4-methylhexanoic acid
CID 64366121
6-[(2-Methoxyacetyl)amino]-4,4-dimethylhexanoic acid
CID 65284351
6-[(2-Ethoxyacetyl)amino]-4,4-dimethylhexanoic acid
CID 65284541
6-[[2-(2-Methoxyethoxy)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284638
4,4-Dimethyl-6-(oxane-2-carbonylamino)hexanoic acid
CID 65284701
3-[[(2-Ethoxyacetyl)amino]methyl]-5-methylhexanoic acid
CID 65492465
(3S)-3-[[(2-methoxyacetyl)amino]methyl]-5-methylhexanoic acid
CID 65492853
3-[[(2-Methoxyacetyl)amino]methyl]-5-methylhexanoic acid
CID 65494321
(3S)-3-[[(2-ethoxyacetyl)amino]methyl]-5-methylhexanoic acid
CID 65494509

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid (CID 114105289) is 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid is CCC(C)(OC)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is QKISOSIWFHQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-12(2,18-3)11(17)14-9-13(6-5-7-13)8-10(15)16/h4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 114105289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).