1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C14H24N2O4 — CID 115451664

IUPAC1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c17-12(18)14(6-7-14)10-16-13(19)15-8-9-20-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyIAKOAUMHAOCKNH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds7

About 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451664) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115451664
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c17-12(18)14(6-7-14)10-16-13(19)15-8-9-20-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyIAKOAUMHAOCKNH-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
1-[(2-butoxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312514
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115451664) is 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCCOC1CCCCC1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IAKOAUMHAOCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-12(18)14(6-7-14)10-16-13(19)15-8-9-20-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).