methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate

C25H32N4O6 — CID 175458008

IUPACmethyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(C)(CC1CCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C25H32N4O6/c1-25(24(33)35-3,13-15-9-10-26-21(15)30)29-23(32)18(11-14-7-8-14)28-22(31)19-12-16-17(27-19)5-4-6-20(16)34-2/h4-6,12,14-15,18,27H,7-11,13H2,1-3H3,(H,26,30)(H,28,31)(H,29,32)
InChIKeyHENWTGXYUMWNFI-UHFFFAOYSA-N
MW484.55 g/mol
LogP1.65
Rot. Bonds10

About methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate

methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate (PubChem CID 175458008) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate
PubChem CID175458008
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Namemethyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(C)(CC1CCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C25H32N4O6/c1-25(24(33)35-3,13-15-9-10-26-21(15)30)29-23(32)18(11-14-7-8-14)28-22(31)19-12-16-17(27-19)5-4-6-20(16)34-2/h4-6,12,14-15,18,27H,7-11,13H2,1-3H3,(H,26,30)(H,28,31)(H,29,32)
InChIKeyHENWTGXYUMWNFI-UHFFFAOYSA-N
XLogP1.65
TPSA138.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[[2-cyano-1-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749644
methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate
CID 163461418
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162479078
methyl 2-[[3-cyclohexyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 166744762
N-[(2S)-1-[[(2S)-4-cyano-3-hydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166893601
N-[3-cyclopropyl-1-oxo-1-[[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]amino]propan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166505881
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 166744822
2-[[(2S)-3-cyclohexyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoic acid
CID 168861047
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanethioic S-acid
CID 165416296
N-[1-[[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166745002
N-[1-[[(2S)-4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 11583936
N-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-(4,4-difluorocyclohexyl)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749460

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate (CID 175458008) is methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate is COC(=O)C(C)(CC1CCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate?
The InChIKey is HENWTGXYUMWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-25(24(33)35-3,13-15-9-10-26-21(15)30)29-23(32)18(11-14-7-8-14)28-22(31)19-12-16-17(27-19)5-4-6-20(16)34-2/h4-6,12,14-15,18,27H,7-11,13H2,1-3H3,(H,26,30)(H,28,31)(H,29,32).
What are the key properties of methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate?
methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate has a molecular weight of 484.55 g/mol, XLogP of 1.65, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 175458008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).