3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid

C18H24N2O4 — CID 56619053

IUPAC3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
SMILESC[C@H](Cc1cn(C(=O)O)c2ccccc12)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-12(19(5)17(23)24-18(2,3)4)10-13-11-20(16(21)22)15-9-7-6-8-14(13)15/h6-9,11-12H,10H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyHPZFZASANNSXHF-GFCCVEGCSA-N
MW332.40 g/mol
LogP3.97
Rot. Bonds3

About 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid

3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid (PubChem CID 56619053) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
PubChem CID56619053
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
SMILESC[C@H](Cc1cn(C(=O)O)c2ccccc12)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-12(19(5)17(23)24-18(2,3)4)10-13-11-20(16(21)22)15-9-7-6-8-14(13)15/h6-9,11-12H,10H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyHPZFZASANNSXHF-GFCCVEGCSA-N
XLogP3.97
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid?
The IUPAC name of 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid (CID 56619053) is 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid.
What is the SMILES notation for 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid?
The canonical SMILES for 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid is C[C@H](Cc1cn(C(=O)O)c2ccccc12)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid?
The InChIKey is HPZFZASANNSXHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(19(5)17(23)24-18(2,3)4)10-13-11-20(16(21)22)15-9-7-6-8-14(13)15/h6-9,11-12H,10H2,1-5H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid?
3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid is sourced from PubChem (CID 56619053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).