methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate

C20H25N5O4 — CID 58720171

IUPACmethyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate
SMILESCCCc1[nH]c(C2Cc3ccccc3N2C(=O)CN)nc1C(=O)NCC(=O)OC
InChIInChI=1S/C20H25N5O4/c1-3-6-13-18(20(28)22-11-17(27)29-2)24-19(23-13)15-9-12-7-4-5-8-14(12)25(15)16(26)10-21/h4-5,7-8,15H,3,6,9-11,21H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyNBAJFCLHQDLSIK-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.85
Rot. Bonds7

About methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate

methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 58720171) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID58720171
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Namemethyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate
SMILESCCCc1[nH]c(C2Cc3ccccc3N2C(=O)CN)nc1C(=O)NCC(=O)OC
InChIInChI=1S/C20H25N5O4/c1-3-6-13-18(20(28)22-11-17(27)29-2)24-19(23-13)15-9-12-7-4-5-8-14(12)25(15)16(26)10-21/h4-5,7-8,15H,3,6,9-11,21H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyNBAJFCLHQDLSIK-UHFFFAOYSA-N
XLogP0.85
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate (CID 58720171) is methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate is CCCc1[nH]c(C2Cc3ccccc3N2C(=O)CN)nc1C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is NBAJFCLHQDLSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-3-6-13-18(20(28)22-11-17(27)29-2)24-19(23-13)15-9-12-7-4-5-8-14(12)25(15)16(26)10-21/h4-5,7-8,15H,3,6,9-11,21H2,1-2H3,(H,22,28)(H,23,24).
What are the key properties of methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate?
methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 399.45 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 58720171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).