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

C14H17N3O3 — CID 119360770

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 CID119360770
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(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
XLogP1.79
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 120829117
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119363491
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 95286983
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 119363027
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148

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).