benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate

C23H20N2O5 — CID 162405714

IUPACbenzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)N[C@@](C(=O)OCc1ccccc1)(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O5/c1-28-22(27)25-23(20-12-7-13-29-20,18-14-24-19-11-6-5-10-17(18)19)21(26)30-15-16-8-3-2-4-9-16/h2-14,24H,15H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyDQOPQMNSMZYMBT-HSZRJFAPSA-N
MW404.42 g/mol
LogP4.10
Rot. Bonds6

About benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate

benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate (PubChem CID 162405714) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Namebenzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate
PubChem CID162405714
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Namebenzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)N[C@@](C(=O)OCc1ccccc1)(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H20N2O5/c1-28-22(27)25-23(20-12-7-13-29-20,18-14-24-19-11-6-5-10-17(18)19)21(26)30-15-16-8-3-2-4-9-16/h2-14,24H,15H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyDQOPQMNSMZYMBT-HSZRJFAPSA-N
XLogP4.10
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-2-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate
CID 162405712
benzyl (2R)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)-2-thiophen-3-ylacetate
CID 162405715
dibenzyl 2-acetamido-2-[1-(1H-indol-3-yl)ethyl]propanedioate
CID 134106953
dimethyl 2-ethyl-2-(1H-indol-3-yl)propanedioate
CID 12548172
(2S)-2-amino-2-(1H-indol-3-ylmethyl)-3-oxo-3-phenylmethoxypropanoic acid
CID 57089143
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
methyl (2R)-2-(1H-indol-3-yl)-2-(nitromethyl)-4-phenylbutanoate
CID 122214202
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
methyl 2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-methylpropanoate
CID 134826624
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate?
The IUPAC name of benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate (CID 162405714) is benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate.
What is the SMILES notation for benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate?
The canonical SMILES for benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate is COC(=O)N[C@@](C(=O)OCc1ccccc1)(c1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate?
The InChIKey is DQOPQMNSMZYMBT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-28-22(27)25-23(20-12-7-13-29-20,18-14-24-19-11-6-5-10-17(18)19)21(26)30-15-16-8-3-2-4-9-16/h2-14,24H,15H2,1H3,(H,25,27)/t23-/m1/s1.
What are the key properties of benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate?
benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate has a molecular weight of 404.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(furan-2-yl)-2-(1H-indol-3-yl)-2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 162405714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).