2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid

C14H21NO3 — CID 102983991

IUPAC2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
SMILESCCCC(C)OCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-7-11(2)18-10-14(15,13(16)17)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10,15H2,1-2H3,(H,16,17)
InChIKeyDIEDPRSVYNSEDM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds7

About 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid

2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid (PubChem CID 102983991) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
PubChem CID102983991
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
SMILESCCCC(C)OCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-7-11(2)18-10-14(15,13(16)17)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10,15H2,1-2H3,(H,16,17)
InChIKeyDIEDPRSVYNSEDM-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-pentan-2-yloxy-2-phenylpropanamide
CID 102984296
2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
CID 64809795
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
1-pentan-2-yloxy-3-phenylpropan-2-one
CID 102982877
2-amino-2-phenyl-3-sulfanylpropanoic acid
CID 22619315
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
CID 103501966
[(2S)-pentan-2-yl] benzoate
CID 101019298
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
3-methyl-2-phenylhexan-2-amine
CID 107892285
4-amino-4-phenylhexan-3-one
CID 67459117

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid?
The IUPAC name of 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid (CID 102983991) is 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid is CCCC(C)OCC(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid?
The InChIKey is DIEDPRSVYNSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-7-11(2)18-10-14(15,13(16)17)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid?
2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid is sourced from PubChem (CID 102983991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).