3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid

C17H21N3O2 — CID 42809423

IUPAC3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22)
InChIKeyDPOTWNFOHUNAHW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds7

About 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid

3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid (PubChem CID 42809423) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
PubChem CID42809423
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22)
InChIKeyDPOTWNFOHUNAHW-UHFFFAOYSA-N
XLogP3.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid (CID 42809423) is 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid is CCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12.
What is the InChIKey of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The InChIKey is DPOTWNFOHUNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22).
What are the key properties of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid is sourced from PubChem (CID 42809423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).