2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid

C13H17NO4 — CID 60832237

IUPAC2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(2)14(8-11(15)16)13(18)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8H2,1-2H3,(H,15,16)
InChIKeyPXGMWVLRXGXITF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.04
Rot. Bonds5

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

2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid (PubChem CID 60832237) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
PubChem CID60832237
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(2)14(8-11(15)16)13(18)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8H2,1-2H3,(H,15,16)
InChIKeyPXGMWVLRXGXITF-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198714
2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
CID 60830693
2-[2-benzylsulfanylpropanoyl(propan-2-yl)amino]acetic acid
CID 119198417
2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid (CID 60832237) is 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is PXGMWVLRXGXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(2)14(8-11(15)16)13(18)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid?
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).