2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid

C11H15N3O6 — CID 155374949

IUPAC2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O6/c1-6-3-7(14-20-6)11(18)13-8(5-19-2)10(17)12-4-9(15)16/h3,8H,4-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)/t8-/m0/s1
InChIKeyBORHUNLFOYGXKT-QMMMGPOBSA-N
MW285.26 g/mol
LogP-1.07
Rot. Bonds7

About 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid

2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid (PubChem CID 155374949) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
PubChem CID155374949
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O6/c1-6-3-7(14-20-6)11(18)13-8(5-19-2)10(17)12-4-9(15)16/h3,8H,4-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)/t8-/m0/s1
InChIKeyBORHUNLFOYGXKT-QMMMGPOBSA-N
XLogP-1.07
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143460357
N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 143460249
N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 73052413
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 143460307
N-[3-methoxy-1-[[3-methoxy-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 74833669
N-[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155112902
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid
CID 158466516
N-[4-methoxy-1-[[(2S)-3-methoxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 139342693

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid (CID 155374949) is 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid is COC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid?
The InChIKey is BORHUNLFOYGXKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-6-3-7(14-20-6)11(18)13-8(5-19-2)10(17)12-4-9(15)16/h3,8H,4-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid?
2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid has a molecular weight of 285.26 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 155374949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).