2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

C23H24N2O3 — CID 67310330

IUPAC2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccn3c2C1
InChIInChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-10-11-18-19(15-23(27)28)20-9-5-6-12-25(20)21(18)14-17/h2-9,12,17H,10-11,13-15H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyNREROTCSYMBZRW-QGZVFWFLSA-N
MW376.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (PubChem CID 67310330) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
PubChem CID67310330
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccn3c2C1
InChIInChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-10-11-18-19(15-23(27)28)20-9-5-6-12-25(20)21(18)14-17/h2-9,12,17H,10-11,13-15H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyNREROTCSYMBZRW-QGZVFWFLSA-N
XLogP3.12
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[methyl-[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310390
2-[(3R)-3-[[2,2-bis(4-fluorophenyl)acetyl]-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310347
2-[(7S)-7-[[2-(4-fluorophenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 58349690
2-[7-fluoro-3-[(5-fluoropyrimidin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873453
2-[(7R)-7-[methyl-[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 54583708
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
2-[8-chloro-3-[(5-fluoro-1,3-benzoxazol-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873501
2-[3-[(6-fluoro-1,3-benzothiazol-2-yl)-methylamino]-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873523
2-[(7R)-7-[[2-[4-fluoro-2-(trifluoromethyl)phenyl]acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 54586607
2-[7-chloro-3-[(6-fluoroquinazolin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873460
2-[(7R)-7-[methyl-(2-thiophen-2-ylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 58349685
2-[7-chloro-3-[(6-fluoroquinoxalin-2-yl)-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 70873248

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (CID 67310330) is 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is CN(C(=O)Cc1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccn3c2C1.
What is the InChIKey of 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The InChIKey is NREROTCSYMBZRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-10-11-18-19(15-23(27)28)20-9-5-6-12-25(20)21(18)14-17/h2-9,12,17H,10-11,13-15H2,1H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid has a molecular weight of 376.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is sourced from PubChem (CID 67310330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).