methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate

C15H21NO3 — CID 124596647

IUPACmethyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
SMILESCCc1ccccc1C(=O)N[C@@H](C(=O)OC)C(C)C
InChIInChI=1S/C15H21NO3/c1-5-11-8-6-7-9-12(11)14(17)16-13(10(2)3)15(18)19-4/h6-10,13H,5H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyRJPZYDDVVPUFKC-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds5

About methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate

methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate (PubChem CID 124596647) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
PubChem CID124596647
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
SMILESCCc1ccccc1C(=O)N[C@@H](C(=O)OC)C(C)C
InChIInChI=1S/C15H21NO3/c1-5-11-8-6-7-9-12(11)14(17)16-13(10(2)3)15(18)19-4/h6-10,13H,5H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyRJPZYDDVVPUFKC-CYBMUJFWSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
2-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601393
methyl (2S)-2-[(2-cyanobenzoyl)amino]-3-methylbutanoate
CID 134821296
methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
CID 78993299
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
methyl 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-methylbutanoate
CID 81321719
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate (CID 124596647) is methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate is CCc1ccccc1C(=O)N[C@@H](C(=O)OC)C(C)C.
What is the InChIKey of methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate?
The InChIKey is RJPZYDDVVPUFKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-11-8-6-7-9-12(11)14(17)16-13(10(2)3)15(18)19-4/h6-10,13H,5H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate?
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate has a molecular weight of 263.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 124596647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).