4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid

C14H17N3O3 — CID 120535022

IUPAC4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H17N3O3/c1-9(4-5-13(19)20)17-12(18)7-10-8-16-14-11(10)3-2-6-15-14/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyNDHKBEJNLJTLII-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.47
Rot. Bonds6

About 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid

4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid (PubChem CID 120535022) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
PubChem CID120535022
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H17N3O3/c1-9(4-5-13(19)20)17-12(18)7-10-8-16-14-11(10)3-2-6-15-14/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyNDHKBEJNLJTLII-UHFFFAOYSA-N
XLogP1.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
CID 119666826
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 53144477
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610391
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
CID 81322254
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119659375
ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
CID 143041569
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid (CID 120535022) is 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is NDHKBEJNLJTLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(4-5-13(19)20)17-12(18)7-10-8-16-14-11(10)3-2-6-15-14/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid?
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 120535022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).