(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid

C11H10FN3O3 — CID 167978058

IUPAC(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)Nc1ncc2ccc(F)cc2n1
InChIInChI=1S/C11H10FN3O3/c12-7-2-1-6-4-13-11(14-8(6)3-7)15-9(5-16)10(17)18/h1-4,9,16H,5H2,(H,17,18)(H,13,14,15)/t9-/m0/s1
InChIKeyRZZOHDFJGQPWSP-VIFPVBQESA-N
MW251.22 g/mol
LogP0.63
Rot. Bonds4

About (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid

(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid (PubChem CID 167978058) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid
PubChem CID167978058
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)Nc1ncc2ccc(F)cc2n1
InChIInChI=1S/C11H10FN3O3/c12-7-2-1-6-4-13-11(14-8(6)3-7)15-9(5-16)10(17)18/h1-4,9,16H,5H2,(H,17,18)(H,13,14,15)/t9-/m0/s1
InChIKeyRZZOHDFJGQPWSP-VIFPVBQESA-N
XLogP0.63
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(quinazolin-2-ylamino)butanedioic acid
CID 114788634
(2S)-2-[(7-fluoroquinolin-2-yl)amino]-4-methylpentanoic acid
CID 122050140
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
CID 112703180
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
(2S)-2-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61182472
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230
(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid
CID 122050819
2-bromo-7-fluoroquinazoline
CID 105484272
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid (CID 167978058) is (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid is O=C(O)[C@H](CO)Nc1ncc2ccc(F)cc2n1.
What is the InChIKey of (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid?
The InChIKey is RZZOHDFJGQPWSP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-7-2-1-6-4-13-11(14-8(6)3-7)15-9(5-16)10(17)18/h1-4,9,16H,5H2,(H,17,18)(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid has a molecular weight of 251.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-fluoroquinazolin-2-yl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 167978058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).