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

C22H24N4O5 — CID 67411077

IUPAC2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CC(=O)O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O5/c1-31-22(30)19(9-18-10-23-14-24-18)25-20(27)12-26(13-21(28)29)11-15-6-7-16-4-2-3-5-17(16)8-15/h2-8,10,14,19H,9,11-13H2,1H3,(H,23,24)(H,25,27)(H,28,29)
InChIKeyWXXGEMWUMBUNDB-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.35
Rot. Bonds10

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

2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid (PubChem CID 67411077) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid
PubChem CID67411077
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CC(=O)O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O5/c1-31-22(30)19(9-18-10-23-14-24-18)25-20(27)12-26(13-21(28)29)11-15-6-7-16-4-2-3-5-17(16)8-15/h2-8,10,14,19H,9,11-13H2,1H3,(H,23,24)(H,25,27)(H,28,29)
InChIKeyWXXGEMWUMBUNDB-UHFFFAOYSA-N
XLogP1.35
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 67421786
2-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-benzylamino]acetic acid
CID 67430533
methyl (2S)-2-[[2-[ethyl(methyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 142231680
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
(2S)-2-[[2-[[(2Z)-2-(aminohydrazinylidene)-2-(methylideneamino)ethyl]-benzylamino]acetyl]amino]-3-(1H-imidazol-5-yl)-N-methylpropanamide
CID 88906074
tert-butyl (2S)-3-(1H-imidazol-5-yl)-2-[[2-[(2-methoxy-2-oxoethyl)-(3-phenylpropyl)amino]acetyl]amino]propanoate
CID 67421989
methyl (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 51404153
methyl (2R)-3-(1H-imidazol-5-yl)-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 12807326
2-[benzyl-[2-[[(2S)-3-(3-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 67421762
methyl (2S)-2-(dimethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876560
methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 167835828
benzyl (2S)-3-(1H-imidazol-5-yl)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid (CID 67411077) is 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid is COC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CC(=O)O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid?
The InChIKey is WXXGEMWUMBUNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-31-22(30)19(9-18-10-23-14-24-18)25-20(27)12-26(13-21(28)29)11-15-6-7-16-4-2-3-5-17(16)8-15/h2-8,10,14,19H,9,11-13H2,1H3,(H,23,24)(H,25,27)(H,28,29).
What are the key properties of 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid?
2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid has a molecular weight of 424.46 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 67411077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).