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

C11H11N3O5 — CID 107832863

IUPAC(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1noc2ncc(C(=O)NC[C@H](O)C(=O)O)cc12
InChIInChI=1S/C11H11N3O5/c1-5-7-2-6(3-13-10(7)19-14-5)9(16)12-4-8(15)11(17)18/h2-3,8,15H,4H2,1H3,(H,12,16)(H,17,18)/t8-/m0/s1
InChIKeyOTDPPMLFHSUGPN-QMMMGPOBSA-N
MW265.23 g/mol
LogP-0.29
Rot. Bonds4

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

(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid (PubChem CID 107832863) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
PubChem CID107832863
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1noc2ncc(C(=O)NC[C@H](O)C(=O)O)cc12
InChIInChI=1S/C11H11N3O5/c1-5-7-2-6(3-13-10(7)19-14-5)9(16)12-4-8(15)11(17)18/h2-3,8,15H,4H2,1H3,(H,12,16)(H,17,18)/t8-/m0/s1
InChIKeyOTDPPMLFHSUGPN-QMMMGPOBSA-N
XLogP-0.29
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 111784829
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid (CID 107832863) is (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid is Cc1noc2ncc(C(=O)NC[C@H](O)C(=O)O)cc12.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The InChIKey is OTDPPMLFHSUGPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-5-7-2-6(3-13-10(7)19-14-5)9(16)12-4-8(15)11(17)18/h2-3,8,15H,4H2,1H3,(H,12,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid has a molecular weight of 265.23 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107832863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).