(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid

C16H19NO3 — CID 125470025

IUPAC(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-11(8-16(19)20)17-10-15(18)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15,17-18H,8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyBLUZGLHZYIYPSX-ABAIWWIYSA-N
MW273.33 g/mol
LogP2.33
Rot. Bonds6

About (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid

(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid (PubChem CID 125470025) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
PubChem CID125470025
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
SMILESC[C@H](CC(=O)O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-11(8-16(19)20)17-10-15(18)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15,17-18H,8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyBLUZGLHZYIYPSX-ABAIWWIYSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831
(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
CID 79250265
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
4-hydroxy-3-(methylamino)-4-naphthalen-2-ylbutanoic acid
CID 82348116

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid?
The IUPAC name of (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid (CID 125470025) is (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid.
What is the SMILES notation for (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid?
The canonical SMILES for (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid is C[C@H](CC(=O)O)NC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid?
The InChIKey is BLUZGLHZYIYPSX-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(8-16(19)20)17-10-15(18)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15,17-18H,8,10H2,1H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid?
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid is sourced from PubChem (CID 125470025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).