2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid

C17H22N2O2 — CID 67309970

IUPAC2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c2n(c3ccccc13)C[C@H](N)CC2
InChIInChI=1S/C17H22N2O2/c1-2-5-13(17(20)21)16-12-6-3-4-7-14(12)19-10-11(18)8-9-15(16)19/h3-4,6-7,11,13H,2,5,8-10,18H2,1H3,(H,20,21)/t11-,13?/m1/s1
InChIKeyMMSLFAUJBGCECC-JTDNENJMSA-N
MW286.37 g/mol
LogP2.88
Rot. Bonds4

About 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid

2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid (PubChem CID 67309970) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid.

Molecular Properties

Compound Name2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid
PubChem CID67309970
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c2n(c3ccccc13)C[C@H](N)CC2
InChIInChI=1S/C17H22N2O2/c1-2-5-13(17(20)21)16-12-6-3-4-7-14(12)19-10-11(18)8-9-15(16)19/h3-4,6-7,11,13H,2,5,8-10,18H2,1H3,(H,20,21)/t11-,13?/m1/s1
InChIKeyMMSLFAUJBGCECC-JTDNENJMSA-N
XLogP2.88
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206176
10-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
CID 122697906
3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 98008228
6-amino-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248625
propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
CID 59487252
2-[7-[(2-methoxy-2-phenylacetyl)-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 76769571
2-(2,3-diamino-6-phenylphenyl)pentanoic acid
CID 57185698
2-[10-[(4-methylsulfonylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetic acid
CID 138659035
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 145177333
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
sulfanyl 2-phenylpentanoate
CID 174681002

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid?
The IUPAC name of 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid (CID 67309970) is 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid.
What is the SMILES notation for 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid?
The canonical SMILES for 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid is CCCC(C(=O)O)c1c2n(c3ccccc13)C[C@H](N)CC2.
What is the InChIKey of 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid?
The InChIKey is MMSLFAUJBGCECC-JTDNENJMSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-5-13(17(20)21)16-12-6-3-4-7-14(12)19-10-11(18)8-9-15(16)19/h3-4,6-7,11,13H,2,5,8-10,18H2,1H3,(H,20,21)/t11-,13?/m1/s1.
What are the key properties of 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid?
2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid is sourced from PubChem (CID 67309970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).