2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid

C16H19N3O4 — CID 4834759

IUPAC2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
SMILESCCC(C)C(C(=O)NCC(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(15(22)17-8-13(20)21)19-9-18-12-7-5-4-6-11(12)16(19)23/h4-7,9-10,14H,3,8H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyYEDMHMWEWCRDOL-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.18
Rot. Bonds6

About 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid

2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid (PubChem CID 4834759) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
PubChem CID4834759
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
SMILESCCC(C)C(C(=O)NCC(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(15(22)17-8-13(20)21)19-9-18-12-7-5-4-6-11(12)16(19)23/h4-7,9-10,14H,3,8H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyYEDMHMWEWCRDOL-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]acetic acid
CID 4835959
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid
CID 4836394
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid
CID 4835706
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
3-methyl-2-[[4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoic acid
CID 4835127

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid?
The IUPAC name of 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid (CID 4834759) is 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid is CCC(C)C(C(=O)NCC(=O)O)n1cnc2ccccc2c1=O.
What is the InChIKey of 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid?
The InChIKey is YEDMHMWEWCRDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-10(2)14(15(22)17-8-13(20)21)19-9-18-12-7-5-4-6-11(12)16(19)23/h4-7,9-10,14H,3,8H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid?
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid is sourced from PubChem (CID 4834759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).