1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid

C10H17NO3 — CID 115242782

IUPAC1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNC2CCOCC2)CC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-4-10)7-11-8-1-5-14-6-2-8/h8,11H,1-7H2,(H,12,13)
InChIKeyUITDKFKENIOTGO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds4

About 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid

1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242782) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115242782
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNC2CCOCC2)CC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(3-4-10)7-11-8-1-5-14-6-2-8/h8,11H,1-7H2,(H,12,13)
InChIKeyUITDKFKENIOTGO-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid (CID 115242782) is 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CNC2CCOCC2)CC1.
What is the InChIKey of 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UITDKFKENIOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)10(3-4-10)7-11-8-1-5-14-6-2-8/h8,11H,1-7H2,(H,12,13).
What are the key properties of 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).