(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate

C17H14N3O3- — CID 6926985

IUPAC(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
SMILESO=C([O-])[C@H](CO)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O3/c21-10-14(17(22)23)19-16-12-8-4-5-9-13(12)18-15(20-16)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,22,23)(H,18,19,20)/p-1/t14-/m0/s1
InChIKeyTUTDJJOPMGCNMC-AWEZNQCLSA-M
MW308.32 g/mol
LogP0.82
Rot. Bonds5

About (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate

(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate (PubChem CID 6926985) has the molecular formula C17H14N3O3- and a molecular weight of 308.32 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
PubChem CID6926985
Molecular FormulaC17H14N3O3-
Molecular Weight308.32 g/mol
Exact Mass308.10
IUPAC Name(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
SMILESO=C([O-])[C@H](CO)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O3/c21-10-14(17(22)23)19-16-12-8-4-5-9-13(12)18-15(20-16)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,22,23)(H,18,19,20)/p-1/t14-/m0/s1
InChIKeyTUTDJJOPMGCNMC-AWEZNQCLSA-M
XLogP0.82
TPSA98.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
3-(1H-imidazol-5-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
CID 23761575
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
(2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-3-methylbutanoate
CID 7728907
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
(2S)-3-(1H-indol-3-yl)-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
CID 24874502
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]-2-phenylquinazolin-4-amine
CID 95781519
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate?
The IUPAC name of (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate (CID 6926985) is (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate is O=C([O-])[C@H](CO)Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate?
The InChIKey is TUTDJJOPMGCNMC-AWEZNQCLSA-M. The full InChI is InChI=1S/C17H15N3O3/c21-10-14(17(22)23)19-16-12-8-4-5-9-13(12)18-15(20-16)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,22,23)(H,18,19,20)/p-1/t14-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate?
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate has a molecular weight of 308.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate is sourced from PubChem (CID 6926985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).