ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate

C14H20N2O3 — CID 79012215

IUPACethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)10-7-5-6-8-11(10)16-13(17)12(15)9(2)3/h5-9,12H,4,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGHYTVVZLANVZGY-GFCCVEGCSA-N
MW264.32 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate

ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate (PubChem CID 79012215) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
PubChem CID79012215
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)10-7-5-6-8-11(10)16-13(17)12(15)9(2)3/h5-9,12H,4,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGHYTVVZLANVZGY-GFCCVEGCSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate (CID 79012215) is ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate?
The InChIKey is GHYTVVZLANVZGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(18)10-7-5-6-8-11(10)16-13(17)12(15)9(2)3/h5-9,12H,4,15H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate?
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate is sourced from PubChem (CID 79012215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).