2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid

C19H24N4O5 — CID 67422054

IUPAC2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid
SMILESCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1
InChIKeyGGPUXIJTYUPCEL-INIZCTEOSA-N
MW388.42 g/mol
LogP0.24
Rot. Bonds11

About 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid

2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 67422054) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid
PubChem CID67422054
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid
SMILESCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1
InChIKeyGGPUXIJTYUPCEL-INIZCTEOSA-N
XLogP0.24
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid (CID 67422054) is 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid is COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is GGPUXIJTYUPCEL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 0.24, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 67422054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).