3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid

C14H13N3O2 — CID 117390924

IUPAC3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19)
InChIKeyNCFURIBFGJBSAX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid

3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid (PubChem CID 117390924) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
PubChem CID117390924
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19)
InChIKeyNCFURIBFGJBSAX-UHFFFAOYSA-N
XLogP2.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923516
5-Fluorotryptophan
CID 688357
6-Fluorotryptophan, DL-
CID 94937
N-methyl-L-tryptophan
CID 160511
alpha-Methyltryptophan
CID 95438
(2R)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923517

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The IUPAC name of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid (CID 117390924) is 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid is NC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1.
What is the InChIKey of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The InChIKey is NCFURIBFGJBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19).
What are the key properties of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid is sourced from PubChem (CID 117390924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).