[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium

C20H27N4O4+ — CID 8911584

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C20H26N4O4/c1-24(11-18(25)22-14-7-8-14)12-19(26)23-17(20(27)28-2)9-13-10-21-16-6-4-3-5-15(13)16/h3-6,10,14,17,21H,7-9,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1/t17-/m1/s1
InChIKeyPGGFQBWSHZDZDG-QGZVFWFLSA-O
MW387.46 g/mol
LogP-0.84
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8911584) has the molecular formula C20H27N4O4+ and a molecular weight of 387.46 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
PubChem CID8911584
Molecular FormulaC20H27N4O4+
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C20H26N4O4/c1-24(11-18(25)22-14-7-8-14)12-19(26)23-17(20(27)28-2)9-13-10-21-16-6-4-3-5-15(13)16/h3-6,10,14,17,21H,7-9,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1/t17-/m1/s1
InChIKeyPGGFQBWSHZDZDG-QGZVFWFLSA-O
XLogP-0.84
TPSA104.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914802
[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595505
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8911616
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040
methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 18105767
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262354
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
methyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 78794132
methyl 3-(1H-indol-3-yl)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoate
CID 78779969
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium (CID 8911584) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is PGGFQBWSHZDZDG-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H26N4O4/c1-24(11-18(25)22-14-7-8-14)12-19(26)23-17(20(27)28-2)9-13-10-21-16-6-4-3-5-15(13)16/h3-6,10,14,17,21H,7-9,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1/t17-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 387.46 g/mol, XLogP of -0.84, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8911584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).