3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid

C15H19N3O3 — CID 21003866

IUPAC3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid
SMILESCC(C)c1nc(NC(C(=O)O)C(C)O)c2ccccc2n1
InChIInChI=1S/C15H19N3O3/c1-8(2)13-16-11-7-5-4-6-10(11)14(18-13)17-12(9(3)19)15(20)21/h4-9,12,19H,1-3H3,(H,20,21)(H,16,17,18)
InChIKeyYXRSVAIWYLPKTP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.00
Rot. Bonds5

About 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid

3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid (PubChem CID 21003866) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid
PubChem CID21003866
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid
SMILESCC(C)c1nc(NC(C(=O)O)C(C)O)c2ccccc2n1
InChIInChI=1S/C15H19N3O3/c1-8(2)13-16-11-7-5-4-6-10(11)14(18-13)17-12(9(3)19)15(20)21/h4-9,12,19H,1-3H3,(H,20,21)(H,16,17,18)
InChIKeyYXRSVAIWYLPKTP-UHFFFAOYSA-N
XLogP2.00
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
(2S,3S)-2-(acridin-9-ylamino)-3-hydroxybutanoic acid
CID 7722645
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
CID 110434808
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
2-amino-3-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid
CID 21003890
3-methyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]pentanoic acid
CID 91964442
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
CID 21003994
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid (CID 21003866) is 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid is CC(C)c1nc(NC(C(=O)O)C(C)O)c2ccccc2n1.
What is the InChIKey of 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid?
The InChIKey is YXRSVAIWYLPKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8(2)13-16-11-7-5-4-6-10(11)14(18-13)17-12(9(3)19)15(20)21/h4-9,12,19H,1-3H3,(H,20,21)(H,16,17,18).
What are the key properties of 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid?
3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 21003866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).