[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C17H24N2O5 — CID 2547921

IUPAC[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)CC
InChIInChI=1S/C17H24N2O5/c1-4-12(3)19-15(20)11-24-16(21)10-18-17(22)13-8-6-7-9-14(13)23-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyAHAMLGYCSALKGW-LBPRGKRZSA-N
MW336.39 g/mol
LogP1.27
Rot. Bonds9

About [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 2547921) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID2547921
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)CC
InChIInChI=1S/C17H24N2O5/c1-4-12(3)19-15(20)11-24-16(21)10-18-17(22)13-8-6-7-9-14(13)23-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyAHAMLGYCSALKGW-LBPRGKRZSA-N
XLogP1.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7519378
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8024516
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807711
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8842013
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 2547921) is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N[C@@H](C)CC.
What is the InChIKey of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is AHAMLGYCSALKGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-12(3)19-15(20)11-24-16(21)10-18-17(22)13-8-6-7-9-14(13)23-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 336.39 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).