[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C17H24N2O5 — CID 2116305

IUPAC[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)C(C)C)cc1
InChIInChI=1S/C17H24N2O5/c1-11(2)12(3)19-15(20)10-24-16(21)9-18-17(22)13-5-7-14(23-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyUAUSSTOOFCHLNX-LBPRGKRZSA-N
MW336.39 g/mol
LogP1.13
Rot. Bonds8

About [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 2116305) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID2116305
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)C(C)C)cc1
InChIInChI=1S/C17H24N2O5/c1-11(2)12(3)19-15(20)10-24-16(21)9-18-17(22)13-5-7-14(23-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyUAUSSTOOFCHLNX-LBPRGKRZSA-N
XLogP1.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568541
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363528
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345718
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 2116305) is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)C(C)C)cc1.
What is the InChIKey of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is UAUSSTOOFCHLNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(2)12(3)19-15(20)10-24-16(21)9-18-17(22)13-5-7-14(23-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 336.39 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2116305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).