(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid

C14H13N5O2 — CID 171933592

IUPAC(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn(-c2ccnc3ccccc23)nn1)C(=O)O
InChIInChI=1S/C14H13N5O2/c15-11(14(20)21)7-9-8-19(18-17-9)13-5-6-16-12-4-2-1-3-10(12)13/h1-6,8,11H,7,15H2,(H,20,21)/t11-/m0/s1
InChIKeyUNTQFEWURDINLF-NSHDSACASA-N
MW283.29 g/mol
LogP0.77
Rot. Bonds4

About (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid

(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid (PubChem CID 171933592) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid
PubChem CID171933592
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn(-c2ccnc3ccccc23)nn1)C(=O)O
InChIInChI=1S/C14H13N5O2/c15-11(14(20)21)7-9-8-19(18-17-9)13-5-6-16-12-4-2-1-3-10(12)13/h1-6,8,11H,7,15H2,(H,20,21)/t11-/m0/s1
InChIKeyUNTQFEWURDINLF-NSHDSACASA-N
XLogP0.77
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[1-(2,3-dimethylphenyl)triazol-4-yl]propanoic acid
CID 116734767
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
2-amino-3-[1-(4-bromo-2-ethylphenyl)triazol-4-yl]propanoic acid
CID 116734875
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]propanoic acid
CID 116734811
(2S)-2-amino-3-[1-(2-(18F)fluoroethyl)triazol-4-yl]propanoic acid;hydrochloride
CID 46944244
2-amino-3-(2-methylindazol-3-yl)propanoic acid
CID 83440834
4-[4-[(6-chloro-2-fluoropurin-9-yl)methyl]triazol-1-yl]quinoline
CID 155520919
trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
CID 175039189
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid (CID 171933592) is (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid is N[C@@H](Cc1cn(-c2ccnc3ccccc23)nn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid?
The InChIKey is UNTQFEWURDINLF-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N5O2/c15-11(14(20)21)7-9-8-19(18-17-9)13-5-6-16-12-4-2-1-3-10(12)13/h1-6,8,11H,7,15H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid?
(2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid has a molecular weight of 283.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-quinolin-4-yltriazol-4-yl)propanoic acid is sourced from PubChem (CID 171933592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).