4-propan-2-yloxyazepane-4-carboxylic acid

C10H19NO3 — CID 84670130

IUPAC4-propan-2-yloxyazepane-4-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCCNCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-10(9(12)13)4-3-6-11-7-5-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyIFTMUBJGUCXECC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds3

About 4-propan-2-yloxyazepane-4-carboxylic acid

4-propan-2-yloxyazepane-4-carboxylic acid (PubChem CID 84670130) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-propan-2-yloxyazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yloxyazepane-4-carboxylic acid
PubChem CID84670130
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-propan-2-yloxyazepane-4-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCCNCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-10(9(12)13)4-3-6-11-7-5-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyIFTMUBJGUCXECC-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
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4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
CID 159694800
2-methylpropanoic acid;pyrrolidine
CID 159831981
3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
CID 115017259
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
1-(2-propan-2-yloxyethoxy)cycloheptane-1-carboxylic acid
CID 114994306
4-methoxy-N,N-dimethylpiperidine-4-carboxamide
CID 84660627
3-propan-2-yl-3-propan-2-yloxypiperidine
CID 21037381
4-phenoxypiperidine-4-carboxylic acid;hydrochloride
CID 146675465
1-(3-methoxypiperidin-3-yl)ethanone
CID 165465441

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxyazepane-4-carboxylic acid?
The IUPAC name of 4-propan-2-yloxyazepane-4-carboxylic acid (CID 84670130) is 4-propan-2-yloxyazepane-4-carboxylic acid.
What is the SMILES notation for 4-propan-2-yloxyazepane-4-carboxylic acid?
The canonical SMILES for 4-propan-2-yloxyazepane-4-carboxylic acid is CC(C)OC1(C(=O)O)CCCNCC1.
What is the InChIKey of 4-propan-2-yloxyazepane-4-carboxylic acid?
The InChIKey is IFTMUBJGUCXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-10(9(12)13)4-3-6-11-7-5-10/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yloxyazepane-4-carboxylic acid?
4-propan-2-yloxyazepane-4-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyazepane-4-carboxylic acid is sourced from PubChem (CID 84670130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).