ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate

C14H29NO3 — CID 102983984

IUPACethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)OCC(C)(NC(C)C)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-7-9-12(5)18-10-14(6,15-11(3)4)13(16)17-8-2/h11-12,15H,7-10H2,1-6H3
InChIKeyWRJKQILREVRIIP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.51
Rot. Bonds9

About ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate

ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate (PubChem CID 102983984) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
PubChem CID102983984
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)OCC(C)(NC(C)C)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-7-9-12(5)18-10-14(6,15-11(3)4)13(16)17-8-2/h11-12,15H,7-10H2,1-6H3
InChIKeyWRJKQILREVRIIP-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
ethyl 2-methyl-4-(2-methylpentoxy)-2-(propan-2-ylamino)butanoate
CID 103284924
ethyl 2-methyl-3-pentylsulfanyl-2-(propan-2-ylamino)propanoate
CID 107755603
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
ethyl 2-methyl-4-pentylsulfanyl-2-(propan-2-ylamino)pentanoate
CID 107755385
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
CID 102984108
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate (CID 102983984) is ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate is CCCC(C)OCC(C)(NC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate?
The InChIKey is WRJKQILREVRIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-7-9-12(5)18-10-14(6,15-11(3)4)13(16)17-8-2/h11-12,15H,7-10H2,1-6H3.
What are the key properties of ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate?
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate has a molecular weight of 259.39 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 102983984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).