(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid

C19H25N3O5 — CID 51427974

IUPAC(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
InChIInChI=1S/C19H25N3O5/c1-5-11(4)14(18(25)26)21-16(23)15(10(2)3)22-17(24)12-8-6-7-9-13(12)20-19(22)27/h6-11,14-15H,5H2,1-4H3,(H,20,27)(H,21,23)(H,25,26)/t11-,14-,15-/m1/s1
InChIKeyOGVIIIBTINXGHG-KCPJHIHWSA-N
MW375.43 g/mol
LogP1.50
Rot. Bonds7

About (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid

(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid (PubChem CID 51427974) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid
PubChem CID51427974
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O
InChIInChI=1S/C19H25N3O5/c1-5-11(4)14(18(25)26)21-16(23)15(10(2)3)22-17(24)12-8-6-7-9-13(12)20-19(22)27/h6-11,14-15H,5H2,1-4H3,(H,20,27)(H,21,23)(H,25,26)/t11-,14-,15-/m1/s1
InChIKeyOGVIIIBTINXGHG-KCPJHIHWSA-N
XLogP1.50
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]propanoic acid
CID 4836848
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 4838562
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958
methyl 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]benzoate
CID 4838492
(2R)-2-[[(2S,3S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 95373821
4-[[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 4970112
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]propanoic acid
CID 6851381
N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4912276
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 6573216
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4904308

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid (CID 51427974) is (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid is CC[C@@H](C)[C@@H](NC(=O)[C@@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O.
What is the InChIKey of (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid?
The InChIKey is OGVIIIBTINXGHG-KCPJHIHWSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-11(4)14(18(25)26)21-16(23)15(10(2)3)22-17(24)12-8-6-7-9-13(12)20-19(22)27/h6-11,14-15H,5H2,1-4H3,(H,20,27)(H,21,23)(H,25,26)/t11-,14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid?
(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid has a molecular weight of 375.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 51427974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).