2-[(2-phenylacetyl)amino]pentanedioate

C13H13NO5-2 — CID 19350015

IUPAC2-[(2-phenylacetyl)amino]pentanedioate
SMILESO=C([O-])CCC(NC(=O)Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/p-2
InChIKeyPTSRBZOZSRJCKX-UHFFFAOYSA-L
MW263.25 g/mol
LogP-2.01
Rot. Bonds7

About 2-[(2-phenylacetyl)amino]pentanedioate

2-[(2-phenylacetyl)amino]pentanedioate (PubChem CID 19350015) has the molecular formula C13H13NO5-2 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]pentanedioate.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]pentanedioate
PubChem CID19350015
Molecular FormulaC13H13NO5-2
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-[(2-phenylacetyl)amino]pentanedioate
SMILESO=C([O-])CCC(NC(=O)Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/p-2
InChIKeyPTSRBZOZSRJCKX-UHFFFAOYSA-L
XLogP-2.01
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium (4S)-5-amino-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 23678918
potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate
CID 23703834
(2S)-4-methoxy-4-oxo-2-[(2-phenylacetyl)amino]butanoate
CID 71358472
CID 68604008
CID 68604008
4-bromo-2-[(2-phenylacetyl)amino]butanoic acid
CID 141320981
disodium;(2S)-2-(3-sulfanylpropanoylamino)pentanedioate
CID 86593470
(2S)-5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoate
CID 7097451
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
(2R)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoate
CID 7092603
(2R)-2-[(2-phenoxyacetyl)oxyamino]pentanedioate
CID 6997671
lithium 2-phenylacetate
CID 19205773
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]pentanedioate?
The IUPAC name of 2-[(2-phenylacetyl)amino]pentanedioate (CID 19350015) is 2-[(2-phenylacetyl)amino]pentanedioate.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]pentanedioate?
The canonical SMILES for 2-[(2-phenylacetyl)amino]pentanedioate is O=C([O-])CCC(NC(=O)Cc1ccccc1)C(=O)[O-].
What is the InChIKey of 2-[(2-phenylacetyl)amino]pentanedioate?
The InChIKey is PTSRBZOZSRJCKX-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/p-2.
What are the key properties of 2-[(2-phenylacetyl)amino]pentanedioate?
2-[(2-phenylacetyl)amino]pentanedioate has a molecular weight of 263.25 g/mol, XLogP of -2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]pentanedioate is sourced from PubChem (CID 19350015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).