ethyl (2S)-2-benzamido-4-methylpentanoate

C15H21NO3 — CID 12773377

IUPACethyl (2S)-2-benzamido-4-methylpentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyWECSXELAWFWRPK-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds6

About ethyl (2S)-2-benzamido-4-methylpentanoate

ethyl (2S)-2-benzamido-4-methylpentanoate (PubChem CID 12773377) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (2S)-2-benzamido-4-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-benzamido-4-methylpentanoate
PubChem CID12773377
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (2S)-2-benzamido-4-methylpentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyWECSXELAWFWRPK-ZDUSSCGKSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-benzamido-4-methylpentanoate?
The IUPAC name of ethyl (2S)-2-benzamido-4-methylpentanoate (CID 12773377) is ethyl (2S)-2-benzamido-4-methylpentanoate.
What is the SMILES notation for ethyl (2S)-2-benzamido-4-methylpentanoate?
The canonical SMILES for ethyl (2S)-2-benzamido-4-methylpentanoate is CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-benzamido-4-methylpentanoate?
The InChIKey is WECSXELAWFWRPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-benzamido-4-methylpentanoate?
ethyl (2S)-2-benzamido-4-methylpentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-benzamido-4-methylpentanoate is sourced from PubChem (CID 12773377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).