(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid

C16H19N3O4 — CID 40742824

IUPAC(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)8-19-9-17-12-7-5-4-6-11(12)15(19)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,20)(H,22,23)/t10-,14-/m1/s1
InChIKeyMTODZIVDZDTPKB-QMTHXVAHSA-N
MW317.35 g/mol
LogP1.01
Rot. Bonds6

About (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid

(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid (PubChem CID 40742824) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
PubChem CID40742824
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)8-19-9-17-12-7-5-4-6-11(12)15(19)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,20)(H,22,23)/t10-,14-/m1/s1
InChIKeyMTODZIVDZDTPKB-QMTHXVAHSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid (CID 40742824) is (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid is CC[C@@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)O.
What is the InChIKey of (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is MTODZIVDZDTPKB-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)8-19-9-17-12-7-5-4-6-11(12)15(19)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,20)(H,22,23)/t10-,14-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid?
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 40742824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).