3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid

C15H20N2O5 — CID 6850716

IUPAC3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CC(N)CC(=O)O
InChIInChI=1S/C15H20N2O5/c1-22-15(21)12(7-10-5-3-2-4-6-10)17-13(18)8-11(16)9-14(19)20/h2-6,11-12H,7-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyOYTSAPUBQMYQTC-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.08
Rot. Bonds8

About 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid

3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 6850716) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
PubChem CID6850716
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CC(N)CC(=O)O
InChIInChI=1S/C15H20N2O5/c1-22-15(21)12(7-10-5-3-2-4-6-10)17-13(18)8-11(16)9-14(19)20/h2-6,11-12H,7-9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyOYTSAPUBQMYQTC-UHFFFAOYSA-N
XLogP0.08
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 6992061
CID 88626910
CID 88626910
sodium;(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;hydride
CID 173090168
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 67439971
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;propan-1-ol
CID 174893220
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
(3S)-3-amino-4-[2-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-4-oxobutanoic acid
CID 141169457
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
(3S)-3-(carboxyamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18604997

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid (CID 6850716) is 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid is COC(=O)C(Cc1ccccc1)NC(=O)CC(N)CC(=O)O.
What is the InChIKey of 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is OYTSAPUBQMYQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-22-15(21)12(7-10-5-3-2-4-6-10)17-13(18)8-11(16)9-14(19)20/h2-6,11-12H,7-9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 6850716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).