1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid

C9H15NO4 — CID 11600874

IUPAC1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCOC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H15NO4/c1-14-8(13)10-9(7(11)12)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyJLYSRHKXVVPFLJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.13
Rot. Bonds2

About 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid

1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 11600874) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID11600874
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCOC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H15NO4/c1-14-8(13)10-9(7(11)12)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyJLYSRHKXVVPFLJ-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid (CID 11600874) is 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid is COC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JLYSRHKXVVPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-8(13)10-9(7(11)12)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid?
1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11600874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).