methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate

C15H18N2O5 — CID 59079811

IUPACmethyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)N[C@H](Cc1c[nH]c2ccc(OC)cc12)C(=O)OC
InChIInChI=1S/C15H18N2O5/c1-20-10-4-5-12-11(7-10)9(8-16-12)6-13(14(18)21-2)17-15(19)22-3/h4-5,7-8,13,16H,6H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyHCJUEHGIHAFHTM-CYBMUJFWSA-N
MW306.32 g/mol
LogP1.62
Rot. Bonds5

About methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate

methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate (PubChem CID 59079811) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
PubChem CID59079811
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
SMILESCOC(=O)N[C@H](Cc1c[nH]c2ccc(OC)cc12)C(=O)OC
InChIInChI=1S/C15H18N2O5/c1-20-10-4-5-12-11(7-10)9(8-16-12)6-13(14(18)21-2)17-15(19)22-3/h4-5,7-8,13,16H,6H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyHCJUEHGIHAFHTM-CYBMUJFWSA-N
XLogP1.62
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-prop-2-enoxy-1H-indol-3-yl)propanoate
CID 138482456
methyl 3-(5-methoxy-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 134909144
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 102169963
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11099560
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(4-methylsulfinylbutylcarbamothioyloxy)-1H-indol-3-yl]propanoate
CID 156901414
2-[[3-[(2S)-3-methoxy-2-methyl-3-oxopropyl]-1H-indol-5-yl]oxy]acetic acid
CID 59909911

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate?
The IUPAC name of methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate (CID 59079811) is methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate is COC(=O)N[C@H](Cc1c[nH]c2ccc(OC)cc12)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate?
The InChIKey is HCJUEHGIHAFHTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-20-10-4-5-12-11(7-10)9(8-16-12)6-13(14(18)21-2)17-15(19)22-3/h4-5,7-8,13,16H,6H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate?
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate has a molecular weight of 306.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 59079811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).