(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid

C15H18N2O3 — CID 122049854

IUPAC(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
SMILESCC(C)Oc1ccc2nccc(N[C@H](C)C(=O)O)c2c1
InChIInChI=1S/C15H18N2O3/c1-9(2)20-11-4-5-13-12(8-11)14(6-7-16-13)17-10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyOZMNQTJECQJVQG-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid

(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid (PubChem CID 122049854) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
PubChem CID122049854
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
SMILESCC(C)Oc1ccc2nccc(N[C@H](C)C(=O)O)c2c1
InChIInChI=1S/C15H18N2O3/c1-9(2)20-11-4-5-13-12(8-11)14(6-7-16-13)17-10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyOZMNQTJECQJVQG-SNVBAGLBSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methylquinolin-4-yl)amino]propanoic acid
CID 83840397
1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064350
[6-(difluoromethoxy)quinolin-4-yl]hydrazine
CID 62251977
2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 154839535
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
CID 138051639
2-hydroxy-3-[(6-methoxyquinolin-4-yl)amino]-N-methylpropanamide
CID 154782094
(2S)-2-[(6-bromoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 133337923
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
N-propyl-2-(quinolin-4-ylamino)propanamide
CID 61480226

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid (CID 122049854) is (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid is CC(C)Oc1ccc2nccc(N[C@H](C)C(=O)O)c2c1.
What is the InChIKey of (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid?
The InChIKey is OZMNQTJECQJVQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)20-11-4-5-13-12(8-11)14(6-7-16-13)17-10(3)15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid?
(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).