7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid

C19H25N3O3 — CID 175359468

IUPAC7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c23-18(24)9-3-1-2-6-11-20-19(25)22-12-10-15-14-7-4-5-8-16(14)21-17(15)13-22/h4-5,7-8,21H,1-3,6,9-13H2,(H,20,25)(H,23,24)
InChIKeyHOOPQOVCMBIRJC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.27
Rot. Bonds7

About 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid

7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid (PubChem CID 175359468) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid
PubChem CID175359468
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c23-18(24)9-3-1-2-6-11-20-19(25)22-12-10-15-14-7-4-5-8-16(14)21-17(15)13-22/h4-5,7-8,21H,1-3,6,9-13H2,(H,20,25)(H,23,24)
InChIKeyHOOPQOVCMBIRJC-UHFFFAOYSA-N
XLogP3.27
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506593
N-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 29111780
N-(3-morpholin-4-yl-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42534245
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42537710
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42569960
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42507400
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 29139471
N-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42507242
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506552
7-(1,3-dihydroisoindole-2-carbonylamino)heptanoic acid
CID 62230506
6-(2,5-dimethylpyrrol-1-yl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)hexan-1-one
CID 110207363
N-[2-(3-hydroxyanilino)-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506966

Frequently Asked Questions

What is the IUPAC name of 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid?
The IUPAC name of 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid (CID 175359468) is 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid?
The InChIKey is HOOPQOVCMBIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(24)9-3-1-2-6-11-20-19(25)22-12-10-15-14-7-4-5-8-16(14)21-17(15)13-22/h4-5,7-8,21H,1-3,6,9-13H2,(H,20,25)(H,23,24).
What are the key properties of 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid?
7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid has a molecular weight of 343.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid is sourced from PubChem (CID 175359468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).