CID 88626910

C14H18N2O5Pb — CID 88626910

IUPAC—
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O.[Pb]
InChIInChI=1S/C14H18N2O5.Pb/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);
InChIKeyIWIQLNINRLZSOA-UHFFFAOYSA-N
MW501.51 g/mol
LogP-0.69
Rot. Bonds7

About CID 88626910

CID 88626910 (PubChem CID 88626910) has the molecular formula C14H18N2O5Pb and a molecular weight of 501.51 g/mol.

Molecular Properties

Compound NameCID 88626910
PubChem CID88626910
Molecular FormulaC14H18N2O5Pb
Molecular Weight501.51 g/mol
Exact Mass502.10
IUPAC Name—
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O.[Pb]
InChIInChI=1S/C14H18N2O5.Pb/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);
InChIKeyIWIQLNINRLZSOA-UHFFFAOYSA-N
XLogP-0.69
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 5-0.69
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
sodium;(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;hydride
CID 173090168
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-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
methyl 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate;hydrochloride
CID 20849865
(3S)-3-amino-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;hydrochloride
CID 70635840
(3S)-3-amino-4-[2-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-4-oxobutanoic acid
CID 141169457
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoate;hydrochloride
CID 52993176
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
(3S)-3-(carboxyamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18604997
3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 6850716

Frequently Asked Questions

What is the IUPAC name of CID 88626910?
The IUPAC name of CID 88626910 (CID 88626910) is not available.
What is the SMILES notation for CID 88626910?
The canonical SMILES for CID 88626910 is COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O.[Pb].
What is the InChIKey of CID 88626910?
The InChIKey is IWIQLNINRLZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5.Pb/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);.
What are the key properties of CID 88626910?
CID 88626910 has a molecular weight of 501.51 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88626910 is sourced from PubChem (CID 88626910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).