1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid

C11H19NO4 — CID 115435935

IUPAC1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H19NO4/c1-2-16-10(15)12-8-11(9(13)14)6-4-3-5-7-11/h2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyVELZUJNYMXOSOU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds4

About 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid

1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115435935) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115435935
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H19NO4/c1-2-16-10(15)12-8-11(9(13)14)6-4-3-5-7-11/h2-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyVELZUJNYMXOSOU-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444412
1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646

Frequently Asked Questions

What is the IUPAC name of 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid (CID 115435935) is 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid is CCOC(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VELZUJNYMXOSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-10(15)12-8-11(9(13)14)6-4-3-5-7-11/h2-8H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115435935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).