ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate

C13H27NO3 — CID 82840562

IUPACethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(C)(C)O
InChIInChI=1S/C13H27NO3/c1-6-9-11(12(15)17-8-3)14(7-2)10-13(4,5)16/h11,16H,6-10H2,1-5H3
InChIKeyJNFFWDQMZKLBQL-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.81
Rot. Bonds8

About ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate

ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate (PubChem CID 82840562) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
PubChem CID82840562
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(C)(C)O
InChIInChI=1S/C13H27NO3/c1-6-9-11(12(15)17-8-3)14(7-2)10-13(4,5)16/h11,16H,6-10H2,1-5H3
InChIKeyJNFFWDQMZKLBQL-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
CID 82841783
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
CID 83049338
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
CID 82838965
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
CID 83043236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate?
The IUPAC name of ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate (CID 82840562) is ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate is CCCC(C(=O)OCC)N(CC)CC(C)(C)O.
What is the InChIKey of ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate?
The InChIKey is JNFFWDQMZKLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-9-11(12(15)17-8-3)14(7-2)10-13(4,5)16/h11,16H,6-10H2,1-5H3.
What are the key properties of ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate?
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate has a molecular weight of 245.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate is sourced from PubChem (CID 82840562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).