2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid

C14H18N2O5 — CID 104898298

IUPAC2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11(17)8-7-10(14(19)20)16-13(18)12(15)9-5-3-2-4-6-9/h2-6,10,12H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t10?,12-/m0/s1
InChIKeyQTTVPDCNOSCNRZ-KFJBMODSSA-N
MW294.31 g/mol
LogP0.21
Rot. Bonds7

About 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid

2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 104898298) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID104898298
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11(17)8-7-10(14(19)20)16-13(18)12(15)9-5-3-2-4-6-9/h2-6,10,12H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t10?,12-/m0/s1
InChIKeyQTTVPDCNOSCNRZ-KFJBMODSSA-N
XLogP0.21
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
CID 107825156
2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
CID 61157194
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 104898298) is 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)[C@@H](N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is QTTVPDCNOSCNRZ-KFJBMODSSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-11(17)8-7-10(14(19)20)16-13(18)12(15)9-5-3-2-4-6-9/h2-6,10,12H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t10?,12-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid?
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 104898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).