(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid

C14H17NO3 — CID 79978199

IUPAC(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(8-14(17)18)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyXMTXJJJDVMNMNX-CYBMUJFWSA-N
MW247.29 g/mol
LogP2.22
Rot. Bonds5

About (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid

(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid (PubChem CID 79978199) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
PubChem CID79978199
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(8-14(17)18)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyXMTXJJJDVMNMNX-CYBMUJFWSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
4-amino-3-(2-cyclopropylphenyl)pentanoic acid
CID 79983405
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
4-amino-3-(2-cyclopropylphenyl)hexanoic acid
CID 79982337
3-acetamido-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 63651895
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224
2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79976736
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
2-(2-cyclopropylphenyl)-2-(ethylamino)ethanol
CID 79983481
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
CID 79978332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The IUPAC name of (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid (CID 79978199) is (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The canonical SMILES for (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid is CC(=O)N[C@H](CC(=O)O)c1ccccc1C1CC1.
What is the InChIKey of (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The InChIKey is XMTXJJJDVMNMNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)15-13(8-14(17)18)12-5-3-2-4-11(12)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid is sourced from PubChem (CID 79978199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).