propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate

C15H31NO2 — CID 134255693

IUPACpropan-2-yl 2-(2-methyloctan-2-ylamino)propanoate
SMILESCCCCCCC(C)(C)NC(C)C(=O)OC(C)C
InChIInChI=1S/C15H31NO2/c1-7-8-9-10-11-15(5,6)16-13(4)14(17)18-12(2)3/h12-13,16H,7-11H2,1-6H3
InChIKeyYCOQANGZDCTRHT-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.67
Rot. Bonds9

About propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate

propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate (PubChem CID 134255693) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-methyloctan-2-ylamino)propanoate
PubChem CID134255693
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namepropan-2-yl 2-(2-methyloctan-2-ylamino)propanoate
SMILESCCCCCCC(C)(C)NC(C)C(=O)OC(C)C
InChIInChI=1S/C15H31NO2/c1-7-8-9-10-11-15(5,6)16-13(4)14(17)18-12(2)3/h12-13,16H,7-11H2,1-6H3
InChIKeyYCOQANGZDCTRHT-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate?
The IUPAC name of propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate (CID 134255693) is propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate?
The canonical SMILES for propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate is CCCCCCC(C)(C)NC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate?
The InChIKey is YCOQANGZDCTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-8-9-10-11-15(5,6)16-13(4)14(17)18-12(2)3/h12-13,16H,7-11H2,1-6H3.
What are the key properties of propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate?
propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate has a molecular weight of 257.42 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate is sourced from PubChem (CID 134255693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).