2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate

C14H25NO3 — CID 22492345

IUPAC2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)CC1CCCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-18-14(17)11(3)15-13(16)8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLAUITHQLAUPWKU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds6

About 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate

2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate (PubChem CID 22492345) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate
PubChem CID22492345
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)CC1CCCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-18-14(17)11(3)15-13(16)8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLAUITHQLAUPWKU-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate?
The IUPAC name of 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate (CID 22492345) is 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate?
The canonical SMILES for 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate is CC(C)COC(=O)C(C)NC(=O)CC1CCCC1.
What is the InChIKey of 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate?
The InChIKey is LAUITHQLAUPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)9-18-14(17)11(3)15-13(16)8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate?
2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-cyclopentylacetyl)amino]propanoate is sourced from PubChem (CID 22492345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).