2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid

C9H15NO4 — CID 103240382

IUPAC2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
SMILESCOC(=O)CCNC1CCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-8(11)4-5-10-7-3-2-6(7)9(12)13/h6-7,10H,2-5H2,1H3,(H,12,13)
InChIKeyMYYNCWTXGMOVNX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds5

About 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid

2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 103240382) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
PubChem CID103240382
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
SMILESCOC(=O)CCNC1CCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-8(11)4-5-10-7-3-2-6(7)9(12)13/h6-7,10H,2-5H2,1H3,(H,12,13)
InChIKeyMYYNCWTXGMOVNX-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic 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-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
CID 43242623
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid (CID 103240382) is 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid is COC(=O)CCNC1CCC1C(=O)O.
What is the InChIKey of 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is MYYNCWTXGMOVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-8(11)4-5-10-7-3-2-6(7)9(12)13/h6-7,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid?
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103240382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).