4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid

C10H17NO5 — CID 114991085

IUPAC4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
SMILESCOC(=O)CCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17NO5/c1-15-8(12)2-5-11-10(9(13)14)3-6-16-7-4-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyFROAQJDCNWFLON-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds5

About 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid

4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid (PubChem CID 114991085) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
PubChem CID114991085
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
SMILESCOC(=O)CCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17NO5/c1-15-8(12)2-5-11-10(9(13)14)3-6-16-7-4-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyFROAQJDCNWFLON-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
methyl 3-[[4-(2-ethoxy-2-oxoethyl)oxan-4-yl]amino]propanoate
CID 177138623
4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
CID 82238247
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293053
4-(4-ethoxybutanoylamino)oxane-4-carboxylic acid
CID 113280130
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid (CID 114991085) is 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid is COC(=O)CCNC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid?
The InChIKey is FROAQJDCNWFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-8(12)2-5-11-10(9(13)14)3-6-16-7-4-10/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid?
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 114991085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).