(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid

C19H24N2O6 — CID 146524621

IUPAC(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid
SMILESC[C@@H]1C[C@]2(CCO1)C(=O)N(C(=O)O)c1cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H24N2O6/c1-11-10-19(7-8-26-11)13-6-5-12(20-16(23)27-18(2,3)4)9-14(13)21(15(19)22)17(24)25/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,23)(H,24,25)/t11-,19+/m1/s1
InChIKeyMEGWXXVHCPXOJK-WYRIXSBYSA-N
MW376.41 g/mol
LogP3.49
Rot. Bonds1

About (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid

(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid (PubChem CID 146524621) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid.

Molecular Properties

Compound Name(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid
PubChem CID146524621
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid
SMILESC[C@@H]1C[C@]2(CCO1)C(=O)N(C(=O)O)c1cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H24N2O6/c1-11-10-19(7-8-26-11)13-6-5-12(20-16(23)27-18(2,3)4)9-14(13)21(15(19)22)17(24)25/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,23)(H,24,25)/t11-,19+/m1/s1
InChIKeyMEGWXXVHCPXOJK-WYRIXSBYSA-N
XLogP3.49
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
CID 153489870
tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
CID 153378805
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-[3-[(3aR,8bR)-8b-[2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]-4-methoxyphenyl]carbamate
CID 172907732
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate
CID 73013404
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl 1,1-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoisoindole-2-carboxylate
CID 168993651
tert-butyl N-[4-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 176896850
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
CID 169322786
[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-2-yl]oxyboronic acid
CID 66909060

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid?
The IUPAC name of (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid (CID 146524621) is (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid.
What is the SMILES notation for (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid?
The canonical SMILES for (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid is C[C@@H]1C[C@]2(CCO1)C(=O)N(C(=O)O)c1cc(NC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid?
The InChIKey is MEGWXXVHCPXOJK-WYRIXSBYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-11-10-19(7-8-26-11)13-6-5-12(20-16(23)27-18(2,3)4)9-14(13)21(15(19)22)17(24)25/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,23)(H,24,25)/t11-,19+/m1/s1.
What are the key properties of (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid?
(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid is sourced from PubChem (CID 146524621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).