5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid

C14H25NO3 — CID 103254958

IUPAC5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CCCCCC1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H25NO3/c1-10-5-3-2-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyAVSPUQLEXFZCTR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.18
Rot. Bonds4

About 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103254958) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID103254958
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CCCCCC1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H25NO3/c1-10-5-3-2-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyAVSPUQLEXFZCTR-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
5-[[(4-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103234012
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopentan-1-amine
CID 82835668
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[[(1-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244866
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104855853
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid (CID 103254958) is 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid is CC1CCCCCC1NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is AVSPUQLEXFZCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-5-3-2-4-6-12(10)15-9-11-7-8-13(18-11)14(16)17/h10-13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103254958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).