[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate

C18H24N2O5 — CID 30757345

IUPAC[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C18H24N2O5/c1-10(16(21)20-18(2,3)4)25-17(22)13-8-11-7-12(23-5)9-14(24-6)15(11)19-13/h7-10,19H,1-6H3,(H,20,21)/t10-/m0/s1
InChIKeyALMZRMNXCBUWFU-JTQLQIEISA-N
MW348.40 g/mol
LogP2.65
Rot. Bonds5

About [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate (PubChem CID 30757345) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
PubChem CID30757345
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C18H24N2O5/c1-10(16(21)20-18(2,3)4)25-17(22)13-8-11-7-12(23-5)9-14(24-6)15(11)19-13/h7-10,19H,1-6H3,(H,20,21)/t10-/m0/s1
InChIKeyALMZRMNXCBUWFU-JTQLQIEISA-N
XLogP2.65
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate 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

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531998
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 47020850
[1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 42942024
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543148
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543149
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 59151474
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-methoxybenzoate
CID 104784164
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384903
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531872
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531869

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate (CID 30757345) is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate is COc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc2c1.
What is the InChIKey of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is ALMZRMNXCBUWFU-JTQLQIEISA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10(16(21)20-18(2,3)4)25-17(22)13-8-11-7-12(23-5)9-14(24-6)15(11)19-13/h7-10,19H,1-6H3,(H,20,21)/t10-/m0/s1.
What are the key properties of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate?
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 30757345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).