3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid

C14H19NO4 — CID 60832767

IUPAC3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-8-12(16)17)14(19)13(18)11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyDONXYMMJJNLKRR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds6

About 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid

3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid (PubChem CID 60832767) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
PubChem CID60832767
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-8-12(16)17)14(19)13(18)11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyDONXYMMJJNLKRR-UHFFFAOYSA-N
XLogP1.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
3-[2-phenylmethoxypropanoyl(propan-2-yl)amino]propanoic acid
CID 60830240
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
3-[carboxy-[carboxy(phenyl)methyl]amino]propanoic acid
CID 126650108
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
3-[1,3-dihydroisoindole-2-carbonyl(propan-2-yl)amino]propanoic acid
CID 62231196

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid (CID 60832767) is 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C(O)c1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid?
The InChIKey is DONXYMMJJNLKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)15(9-8-12(16)17)14(19)13(18)11-6-4-3-5-7-11/h3-7,10,13,18H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid?
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60832767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).