2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid

C16H19N3O4 — CID 119198315

IUPAC2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-11(2)19(9-15(21)22)14(20)7-8-18-10-17-13-6-4-3-5-12(13)16(18)23/h3-6,10-11H,7-9H2,1-2H3,(H,21,22)
InChIKeyOHYMUWNFYVQNKG-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.11
Rot. Bonds6

About 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid

2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid (PubChem CID 119198315) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
PubChem CID119198315
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-11(2)19(9-15(21)22)14(20)7-8-18-10-17-13-6-4-3-5-12(13)16(18)23/h3-6,10-11H,7-9H2,1-2H3,(H,21,22)
InChIKeyOHYMUWNFYVQNKG-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid (CID 119198315) is 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid?
The InChIKey is OHYMUWNFYVQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(2)19(9-15(21)22)14(20)7-8-18-10-17-13-6-4-3-5-12(13)16(18)23/h3-6,10-11H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid?
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid has a molecular weight of 317.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).