methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate

C14H15N3O2 — CID 10988925

IUPACmethyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
SMILESCOC(=O)N[C@](C)(C#N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c1-14(9-15,17-13(18)19-2)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyGBPWOTKDBRLKNZ-AWEZNQCLSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

About methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate

methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 10988925) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID10988925
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
SMILESCOC(=O)N[C@](C)(C#N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c1-14(9-15,17-13(18)19-2)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyGBPWOTKDBRLKNZ-AWEZNQCLSA-N
XLogP2.35
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
methyl (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22838883
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960172
methyl (2S)-2-amino-2-(deuteriomethyl)-3-(1H-indol-3-yl)propanoate
CID 57296369
(2S)-3-(1H-indol-3-yl)-2-methyl-2-(4,4,4-trichlorobutoxycarbonylamino)propanoic acid
CID 22838884
2-hydroxy-2-(1H-indol-3-ylmethyl)-4,5-dioxohexanoic acid
CID 59215234
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate (CID 10988925) is methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate is COC(=O)N[C@](C)(C#N)Cc1c[nH]c2ccccc12.
What is the InChIKey of methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is GBPWOTKDBRLKNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(9-15,17-13(18)19-2)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8,16H,7H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate?
methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 10988925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).