2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

C14H17N3O4 — CID 104682580

IUPAC2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCc1noc2ncc(C(=O)NCCCC(C)C(=O)O)cc12
InChIInChI=1S/C14H17N3O4/c1-8(14(19)20)4-3-5-15-12(18)10-6-11-9(2)17-21-13(11)16-7-10/h6-8H,3-5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyKPIKPBBNHZDVRZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.76
Rot. Bonds6

About 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (PubChem CID 104682580) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
PubChem CID104682580
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCc1noc2ncc(C(=O)NCCCC(C)C(=O)O)cc12
InChIInChI=1S/C14H17N3O4/c1-8(14(19)20)4-3-5-15-12(18)10-6-11-9(2)17-21-13(11)16-7-10/h6-8H,3-5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyKPIKPBBNHZDVRZ-UHFFFAOYSA-N
XLogP1.76
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756
3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119446105
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (CID 104682580) is 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is Cc1noc2ncc(C(=O)NCCCC(C)C(=O)O)cc12.
What is the InChIKey of 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The InChIKey is KPIKPBBNHZDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8(14(19)20)4-3-5-15-12(18)10-6-11-9(2)17-21-13(11)16-7-10/h6-8H,3-5H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 104682580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).