2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid

C14H24N2O4 — CID 63832113

IUPAC2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)NCCOC1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-9-20-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMBEUHHJKJMBVTE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds7

About 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid

2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid (PubChem CID 63832113) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
PubChem CID63832113
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)NCCOC1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-9-20-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMBEUHHJKJMBVTE-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

2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid (CID 63832113) is 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid is CC(NC(=O)NCCOC1CCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The InChIKey is MBEUHHJKJMBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-9-20-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid?
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic 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 2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 63832113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).