2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid

C14H16N2O2 — CID 117362582

IUPAC2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
SMILESNC(Cc1ccc2[nH]c3c(c2c1)CCC3)C(=O)O
InChIInChI=1S/C14H16N2O2/c15-11(14(17)18)7-8-4-5-13-10(6-8)9-2-1-3-12(9)16-13/h4-6,11,16H,1-3,7,15H2,(H,17,18)
InChIKeyWEAAUPTXYFPQHU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid

2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid (PubChem CID 117362582) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
PubChem CID117362582
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
SMILESNC(Cc1ccc2[nH]c3c(c2c1)CCC3)C(=O)O
InChIInChI=1S/C14H16N2O2/c15-11(14(17)18)7-8-4-5-13-10(6-8)9-2-1-3-12(9)16-13/h4-6,11,16H,1-3,7,15H2,(H,17,18)
InChIKeyWEAAUPTXYFPQHU-UHFFFAOYSA-N
XLogP1.61
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2-amino-3-(9H-carbazol-3-yl)propanoic acid
CID 67140438
4-amino-4-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)butanoic acid
CID 117399428
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117330639
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42980966
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
[2-(benzylamino)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 55321421
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid (CID 117362582) is 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid is NC(Cc1ccc2[nH]c3c(c2c1)CCC3)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
The InChIKey is WEAAUPTXYFPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-11(14(17)18)7-8-4-5-13-10(6-8)9-2-1-3-12(9)16-13/h4-6,11,16H,1-3,7,15H2,(H,17,18).
What are the key properties of 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid?
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid is sourced from PubChem (CID 117362582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).