(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid

Name: (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇N₃O₃ — CID 119360770

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid

SMILESCC(C)C[C@H](NC(=O)c1c[nH]c2ncccc12)C(=O)O

InChIInChI=1S/C14H17N3O3/c1-8(2)6-11(14(19)20)17-13(18)10-7-16-12-9(10)4-3-5-15-12/h3-5,7-8,11H,6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1

InChIKeyRCIYWISHUGHILF-NSHDSACASA-N

MW275.31 g/mol

LogP1.79

Rot. Bonds5

About (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid

(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid (PubChem CID 119360770) has the molecular formula C₁₄H₁₇N₃O₃ and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name	(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
PubChem CID	119360770
Molecular Formula	C₁₄H₁₇N₃O₃
Molecular Weight	275.31 g/mol
Exact Mass	275.13
IUPAC Name	(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
SMILES	CC(C)C[C@H](NC(=O)c1c[nH]c2ncccc12)C(=O)O
InChI	InChI=1S/C14H17N3O3/c1-8(2)6-11(14(19)20)17-13(18)10-7-16-12-9(10)4-3-5-15-12/h3-5,7-8,11H,6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKey	RCIYWISHUGHILF-NSHDSACASA-N
XLogP	1.79
TPSA	95.08 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.31
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid?

The IUPAC name of (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid (CID 119360770) is (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid.

What is the SMILES notation for (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid?

The canonical SMILES for (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid is CC(C)C[C@H](NC(=O)c1c[nH]c2ncccc12)C(=O)O.

What is the InChIKey of (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid?

The InChIKey is RCIYWISHUGHILF-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)6-11(14(19)20)17-13(18)10-7-16-12-9(10)4-3-5-15-12/h3-5,7-8,11H,6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1.

What are the key properties of (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid?

(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 119360770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 119360770 — identifiers, structure, computed properties (public domain)

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