2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid

C16H20N2O2 — CID 67311711

IUPAC2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
SMILESCN[C@H]1CCc2c(C(C)C(=O)O)c3ccccn3c2C1
InChIInChI=1S/C16H20N2O2/c1-10(16(19)20)15-12-7-6-11(17-2)9-14(12)18-8-4-3-5-13(15)18/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,19,20)/t10?,11-/m0/s1
InChIKeyGSEATXDENSKMMP-DTIOYNMSSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid

2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid (PubChem CID 67311711) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid.

Molecular Properties

Compound Name2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
PubChem CID67311711
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
SMILESCN[C@H]1CCc2c(C(C)C(=O)O)c3ccccn3c2C1
InChIInChI=1S/C16H20N2O2/c1-10(16(19)20)15-12-7-6-11(17-2)9-14(12)18-8-4-3-5-13(15)18/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,19,20)/t10?,11-/m0/s1
InChIKeyGSEATXDENSKMMP-DTIOYNMSSA-N
XLogP2.20
TPSA53.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(prop-2-enylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
CID 89052981
2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984855
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 66811845
2-[(3R)-3-[methyl-(2-phenylacetyl)amino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 67310330
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-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206176
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 83693870
(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
CID 122369704
methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
CID 91437114
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-[3-(3-methylbutanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811578
2-[(3R)-3-(3-phenylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206539

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The IUPAC name of 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid (CID 67311711) is 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid.
What is the SMILES notation for 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The canonical SMILES for 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid is CN[C@H]1CCc2c(C(C)C(=O)O)c3ccccn3c2C1.
What is the InChIKey of 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The InChIKey is GSEATXDENSKMMP-DTIOYNMSSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(16(19)20)15-12-7-6-11(17-2)9-14(12)18-8-4-3-5-13(15)18/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,19,20)/t10?,11-/m0/s1.
What are the key properties of 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(methylamino)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid is sourced from PubChem (CID 67311711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).