(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid

C19H17FN2O3 — CID 170341801

IUPAC(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(N2C(=O)C3(CC3)c3cccc(F)c32)cc1)C(=O)O
InChIInChI=1S/C19H17FN2O3/c20-14-3-1-2-13-16(14)22(18(25)19(13)8-9-19)12-6-4-11(5-7-12)10-15(21)17(23)24/h1-7,15H,8-10,21H2,(H,23,24)/t15-/m0/s1
InChIKeySJZPLTBTTNZSAJ-HNNXBMFYSA-N
MW340.35 g/mol
LogP2.49
Rot. Bonds4

About (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid (PubChem CID 170341801) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid
PubChem CID170341801
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(N2C(=O)C3(CC3)c3cccc(F)c32)cc1)C(=O)O
InChIInChI=1S/C19H17FN2O3/c20-14-3-1-2-13-16(14)22(18(25)19(13)8-9-19)12-6-4-11(5-7-12)10-15(21)17(23)24/h1-7,15H,8-10,21H2,(H,23,24)/t15-/m0/s1
InChIKeySJZPLTBTTNZSAJ-HNNXBMFYSA-N
XLogP2.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid with MolForge

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Related Compounds

(2S)-2-amino-4-[4-(7-fluoro-2'-oxospiro[2H-indole-3,1'-cyclopropane]-1-yl)phenyl]butanoic acid
CID 174232097
methyl (2S)-2-amino-3-[4-(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoate
CID 164588529
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
CID 116552464
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid (CID 170341801) is (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid is N[C@@H](Cc1ccc(N2C(=O)C3(CC3)c3cccc(F)c32)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid?
The InChIKey is SJZPLTBTTNZSAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-3-1-2-13-16(14)22(18(25)19(13)8-9-19)12-6-4-11(5-7-12)10-15(21)17(23)24/h1-7,15H,8-10,21H2,(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid has a molecular weight of 340.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid is sourced from PubChem (CID 170341801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).