3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid

C14H19NO3 — CID 60886672

IUPAC3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15(12-6-7-12)9-8-14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKeyMTYFKJKUZUJKTN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds7

About 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid

3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid (PubChem CID 60886672) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
PubChem CID60886672
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15(12-6-7-12)9-8-14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKeyMTYFKJKUZUJKTN-UHFFFAOYSA-N
XLogP1.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-phenylethanol
CID 111110027
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid (CID 60886672) is 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid is O=C(O)CCN(CC(O)c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid?
The InChIKey is MTYFKJKUZUJKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15(12-6-7-12)9-8-14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid?
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 60886672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).