(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid

C15H19N3O4 — CID 119364384

IUPAC(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1noc2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)cc12
InChIInChI=1S/C15H19N3O4/c1-4-11-10-6-9(7-16-14(10)22-18-11)13(19)17-12(15(20)21)5-8(2)3/h6-8,12H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyIPDJGRWYDCKJGU-GFCCVEGCSA-N
MW305.33 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119364384) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119364384
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1noc2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)cc12
InChIInChI=1S/C15H19N3O4/c1-4-11-10-6-9(7-16-14(10)22-18-11)13(19)17-12(15(20)21)5-8(2)3/h6-8,12H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyIPDJGRWYDCKJGU-GFCCVEGCSA-N
XLogP2.01
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119438001

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid (CID 119364384) is (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid is CCc1noc2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)cc12.
What is the InChIKey of (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is IPDJGRWYDCKJGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-11-10-6-9(7-16-14(10)22-18-11)13(19)17-12(15(20)21)5-8(2)3/h6-8,12H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 305.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).