(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid

C12H17NO3 — CID 2060966

IUPAC(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-2-7-16-10-5-3-9(4-6-10)11(13)8-12(14)15/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyZVIBHAHGHDNCML-LLVKDONJSA-N
MW223.27 g/mol
LogP1.95
Rot. Bonds6

About (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid

(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid (PubChem CID 2060966) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
PubChem CID2060966
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-2-7-16-10-5-3-9(4-6-10)11(13)8-12(14)15/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyZVIBHAHGHDNCML-LLVKDONJSA-N
XLogP1.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(4-propoxyphenyl)hexanoic acid
CID 66096290
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
ethyl 3-amino-3-(4-butoxyphenyl)propanoate
CID 4715172
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(3R)-3-amino-3-(4-butoxyphenyl)-1-phenylpropan-1-one
CID 129064445
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid (CID 2060966) is (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid is CCCOc1ccc([C@H](N)CC(=O)O)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid?
The InChIKey is ZVIBHAHGHDNCML-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-7-16-10-5-3-9(4-6-10)11(13)8-12(14)15/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid?
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 2060966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).