2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid

C14H20N2O3 — CID 81374965

IUPAC2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
SMILESCC(=O)NC(CN[C@H](C)c1ccccc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-6-4-5-7-12(9)10(2)15-8-13(14(18)19)16-11(3)17/h4-7,10,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)/t10-,13?/m1/s1
InChIKeyOJTORCROOXYOOI-VUUHIHSGSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds6

About 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid

2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid (PubChem CID 81374965) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
PubChem CID81374965
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
SMILESCC(=O)NC(CN[C@H](C)c1ccccc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-6-4-5-7-12(9)10(2)15-8-13(14(18)19)16-11(3)17/h4-7,10,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)/t10-,13?/m1/s1
InChIKeyOJTORCROOXYOOI-VUUHIHSGSA-N
XLogP1.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanoic acid
CID 81387678
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
2-acetamido-3-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoic acid
CID 81359901
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
CID 64583466
2-acetamido-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propanoic acid
CID 81372439
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
CID 81365356
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid (CID 81374965) is 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid is CC(=O)NC(CN[C@H](C)c1ccccc1C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid?
The InChIKey is OJTORCROOXYOOI-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-4-5-7-12(9)10(2)15-8-13(14(18)19)16-11(3)17/h4-7,10,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)/t10-,13?/m1/s1.
What are the key properties of 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid?
2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 81374965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).