(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid

C12H18N2O5 — CID 61155868

IUPAC(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
SMILESCc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)no1
InChIInChI=1S/C12H18N2O5/c1-7(2)4-9(12(16)17)13-10(15)6-18-11-5-8(3)19-14-11/h5,7,9H,4,6H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyABTBKIJFKOFKOU-VIFPVBQESA-N
MW270.28 g/mol
LogP0.98
Rot. Bonds7

About (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid (PubChem CID 61155868) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
PubChem CID61155868
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
SMILESCc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)no1
InChIInChI=1S/C12H18N2O5/c1-7(2)4-9(12(16)17)13-10(15)6-18-11-5-8(3)19-14-11/h5,7,9H,4,6H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyABTBKIJFKOFKOU-VIFPVBQESA-N
XLogP0.98
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284193
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
CID 108812104
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975873
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 31108342
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
2-[[2-(4-butoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 4732780
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid (CID 61155868) is (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid is Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)no1.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
The InChIKey is ABTBKIJFKOFKOU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7(2)4-9(12(16)17)13-10(15)6-18-11-5-8(3)19-14-11/h5,7,9H,4,6H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid is sourced from PubChem (CID 61155868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).