(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate

C15H20N4O2 — CID 6985470

IUPAC(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
SMILESC[C@H](Nc1nc(CC[NH+](C)C)nc2ccccc12)C(=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-10(15(20)21)16-14-11-6-4-5-7-12(11)17-13(18-14)8-9-19(2)3/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,16,17,18)/t10-/m0/s1
InChIKeyNINLPOCBVPBTMW-JTQLQIEISA-N
MW288.35 g/mol
LogP-1.13
Rot. Bonds6

About (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate

(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate (PubChem CID 6985470) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
PubChem CID6985470
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
SMILESC[C@H](Nc1nc(CC[NH+](C)C)nc2ccccc12)C(=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-10(15(20)21)16-14-11-6-4-5-7-12(11)17-13(18-14)8-9-19(2)3/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,16,17,18)/t10-/m0/s1
InChIKeyNINLPOCBVPBTMW-JTQLQIEISA-N
XLogP-1.13
TPSA82.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate?
The IUPAC name of (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate (CID 6985470) is (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate?
The canonical SMILES for (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate is C[C@H](Nc1nc(CC[NH+](C)C)nc2ccccc12)C(=O)[O-].
What is the InChIKey of (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate?
The InChIKey is NINLPOCBVPBTMW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(15(20)21)16-14-11-6-4-5-7-12(11)17-13(18-14)8-9-19(2)3/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate?
(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate has a molecular weight of 288.35 g/mol, XLogP of -1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate is sourced from PubChem (CID 6985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).