3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid

C14H19NO4 — CID 82325107

IUPAC3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
SMILESCC(O)CN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(16)10-15(8-7-14(18)19)13(17)9-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19)
InChIKeyBEVYQLHQQNIXNC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.91
Rot. Bonds7

About 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid

3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid (PubChem CID 82325107) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
PubChem CID82325107
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
SMILESCC(O)CN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(16)10-15(8-7-14(18)19)13(17)9-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19)
InChIKeyBEVYQLHQQNIXNC-UHFFFAOYSA-N
XLogP0.91
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325112
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324912
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190719
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485
3-[[2-(benzylamino)-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82326877
3-[[2-[2-(difluoromethoxy)phenyl]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190739
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid (CID 82325107) is 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid is CC(O)CN(CCC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid?
The InChIKey is BEVYQLHQQNIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(16)10-15(8-7-14(18)19)13(17)9-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,19).
What are the key properties of 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid?
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 82325107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).