(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid

C15H23NO4 — CID 40643732

IUPAC(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
SMILESCCCOc1ccc([C@H](O)CCN[C@H](C)C(=O)O)cc1
InChIInChI=1S/C15H23NO4/c1-3-10-20-13-6-4-12(5-7-13)14(17)8-9-16-11(2)15(18)19/h4-7,11,14,16-17H,3,8-10H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyCTWGYGZEHNWBTD-BXUZGUMPSA-N
MW281.35 g/mol
LogP1.96
Rot. Bonds9

About (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid

(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid (PubChem CID 40643732) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
PubChem CID40643732
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
SMILESCCCOc1ccc([C@H](O)CCN[C@H](C)C(=O)O)cc1
InChIInChI=1S/C15H23NO4/c1-3-10-20-13-6-4-12(5-7-13)14(17)8-9-16-11(2)15(18)19/h4-7,11,14,16-17H,3,8-10H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyCTWGYGZEHNWBTD-BXUZGUMPSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
CID 82314103
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
4-chloro-4-(4-propoxyphenyl)butanoic acid
CID 103440270
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
CID 82348478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid (CID 40643732) is (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid is CCCOc1ccc([C@H](O)CCN[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid?
The InChIKey is CTWGYGZEHNWBTD-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-10-20-13-6-4-12(5-7-13)14(17)8-9-16-11(2)15(18)19/h4-7,11,14,16-17H,3,8-10H2,1-2H3,(H,18,19)/t11-,14-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid?
(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid is sourced from PubChem (CID 40643732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).