(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid

C12H13N3O2 — CID 177277795

IUPAC(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
SMILESNc1ccc2c(C[C@@H](N)C(=O)O)cccc2n1
InChIInChI=1S/C12H13N3O2/c13-9(12(16)17)6-7-2-1-3-10-8(7)4-5-11(14)15-10/h1-5,9H,6,13H2,(H2,14,15)(H,16,17)/t9-/m1/s1
InChIKeySQINKHZPDAZXDG-SECBINFHSA-N
MW231.25 g/mol
LogP0.77
Rot. Bonds3

About (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid

(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid (PubChem CID 177277795) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
PubChem CID177277795
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
SMILESNc1ccc2c(C[C@@H](N)C(=O)O)cccc2n1
InChIInChI=1S/C12H13N3O2/c13-9(12(16)17)6-7-2-1-3-10-8(7)4-5-11(14)15-10/h1-5,9H,6,13H2,(H2,14,15)(H,16,17)/t9-/m1/s1
InChIKeySQINKHZPDAZXDG-SECBINFHSA-N
XLogP0.77
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53462380
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CID 55269104
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CID 22326254
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid (CID 177277795) is (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid is Nc1ccc2c(C[C@@H](N)C(=O)O)cccc2n1.
What is the InChIKey of (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid?
The InChIKey is SQINKHZPDAZXDG-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-9(12(16)17)6-7-2-1-3-10-8(7)4-5-11(14)15-10/h1-5,9H,6,13H2,(H2,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid?
(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid is sourced from PubChem (CID 177277795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).