ethane;2-phenyl-2-(propanoylamino)acetic acid

C13H19NO3 — CID 169177605

IUPACethane;2-phenyl-2-(propanoylamino)acetic acid
SMILESCC.CCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3.C2H6/c1-2-9(13)12-10(11(14)15)8-6-4-3-5-7-8;1-2/h3-7,10H,2H2,1H3,(H,12,13)(H,14,15);1-2H3
InChIKeyKHHGEKVITNKJHE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds4

About ethane;2-phenyl-2-(propanoylamino)acetic acid

ethane;2-phenyl-2-(propanoylamino)acetic acid (PubChem CID 169177605) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethane;2-phenyl-2-(propanoylamino)acetic acid.

Molecular Properties

Compound Nameethane;2-phenyl-2-(propanoylamino)acetic acid
PubChem CID169177605
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethane;2-phenyl-2-(propanoylamino)acetic acid
SMILESCC.CCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3.C2H6/c1-2-9(13)12-10(11(14)15)8-6-4-3-5-7-8;1-2/h3-7,10H,2H2,1H3,(H,12,13)(H,14,15);1-2H3
InChIKeyKHHGEKVITNKJHE-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
2-(3-bromophenyl)-2-(propanoylamino)acetic acid
CID 82094115
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-2-(propanoylamino)acetic acid?
The IUPAC name of ethane;2-phenyl-2-(propanoylamino)acetic acid (CID 169177605) is ethane;2-phenyl-2-(propanoylamino)acetic acid.
What is the SMILES notation for ethane;2-phenyl-2-(propanoylamino)acetic acid?
The canonical SMILES for ethane;2-phenyl-2-(propanoylamino)acetic acid is CC.CCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of ethane;2-phenyl-2-(propanoylamino)acetic acid?
The InChIKey is KHHGEKVITNKJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.C2H6/c1-2-9(13)12-10(11(14)15)8-6-4-3-5-7-8;1-2/h3-7,10H,2H2,1H3,(H,12,13)(H,14,15);1-2H3.
What are the key properties of ethane;2-phenyl-2-(propanoylamino)acetic acid?
ethane;2-phenyl-2-(propanoylamino)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-2-(propanoylamino)acetic acid is sourced from PubChem (CID 169177605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).