(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid

C17H13NO3 — CID 99979078

IUPAC(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1ccccc1)C(=O)N2
InChIInChI=1S/C17H13NO3/c19-15(20)11-6-7-14-12(8-11)17(16(21)18-14)9-13(17)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-,17+/m0/s1
InChIKeyWMKAYTPTBKKSQH-SUMWQHHRSA-N
MW279.30 g/mol
LogP2.76
Rot. Bonds2

About (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid

(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid (PubChem CID 99979078) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
PubChem CID99979078
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1ccccc1)C(=O)N2
InChIInChI=1S/C17H13NO3/c19-15(20)11-6-7-14-12(8-11)17(16(21)18-14)9-13(17)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-,17+/m0/s1
InChIKeyWMKAYTPTBKKSQH-SUMWQHHRSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3R)-2'-(4-methylphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979195
(2'R,3S)-2'-(3-bromophenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979181
(2'S,3R)-2'-(4-isocyanophenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 58305417
(2'S,3S)-2'-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979116
5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200943
2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 77252133
(2'S,3R)-2'-(1H-isoindol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 153092935
(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68633794
(2'S,3S)-2'-(3-iodo-2H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 99936708
3-[6-fluoro-2-oxo-5-[4-(4-pyrazol-1-ylphenyl)phenyl]spiro[1H-indole-3,2'-cyclopropane]-1'-yl]benzoic acid
CID 121324009
2'-amino-5-hydroxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84719468
(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CID 99987374

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid (CID 99979078) is (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1ccccc1)C(=O)N2.
What is the InChIKey of (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is WMKAYTPTBKKSQH-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15(20)11-6-7-14-12(8-11)17(16(21)18-14)9-13(17)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-,17+/m0/s1.
What are the key properties of (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid?
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 99979078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).