1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid

C11H19NO3 — CID 79638302

IUPAC1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(OCC2CC2)C1
InChIInChI=1S/C11H19NO3/c12-11(10(13)14)5-1-2-9(6-11)15-7-8-3-4-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyRKSGLRIKXMMDNA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.14
Rot. Bonds4

About 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid

1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid (PubChem CID 79638302) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
PubChem CID79638302
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC(OCC2CC2)C1
InChIInChI=1S/C11H19NO3/c12-11(10(13)14)5-1-2-9(6-11)15-7-8-3-4-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyRKSGLRIKXMMDNA-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
1-amino-3-(cyclopentylmethoxy)cyclopentane-1-carboxamide
CID 79653423
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid
CID 79648858
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
1-amino-3-(1-ethoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103489823
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
CID 79649444
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid (CID 79638302) is 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCC(OCC2CC2)C1.
What is the InChIKey of 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is RKSGLRIKXMMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-11(10(13)14)5-1-2-9(6-11)15-7-8-3-4-8/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid?
1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79638302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).