methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate

C17H25N3O4 — CID 94819168

IUPACmethyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCNC(=O)NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC
InChIInChI=1S/C17H25N3O4/c1-4-18-17(23)19-15(21)12-20(10-13(2)16(22)24-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H2,18,19,21,23)/t13-/m1/s1
InChIKeyYIKGWOGKFSWMBR-CYBMUJFWSA-N
MW335.40 g/mol
LogP1.14
Rot. Bonds8

About methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate

methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 94819168) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID94819168
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Namemethyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCNC(=O)NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC
InChIInChI=1S/C17H25N3O4/c1-4-18-17(23)19-15(21)12-20(10-13(2)16(22)24-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H2,18,19,21,23)/t13-/m1/s1
InChIKeyYIKGWOGKFSWMBR-CYBMUJFWSA-N
XLogP1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94799712
methyl 3-[benzyl(hydroxy)amino]-2-methylpropanoate
CID 13358917
methyl (2S)-3-[benzyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94822704
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318
2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 78819123
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 51091367
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
methyl 2-[[2-[(2-amino-3-methylpentyl)-benzylamino]acetyl]amino]-4-methylsulfanylbutanoate
CID 19031511
3-[(4-methoxyphenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 82330080

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate (CID 94819168) is methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate is CCNC(=O)NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is YIKGWOGKFSWMBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-4-18-17(23)19-15(21)12-20(10-13(2)16(22)24-3)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H2,18,19,21,23)/t13-/m1/s1.
What are the key properties of methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate?
methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 335.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 94819168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).