2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid

C11H16N2O4 — CID 43239752

IUPAC2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
SMILESCc1noc(C)c1CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)4-5-10(14)13(3)6-11(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyCUKZFGOKDSQWLV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.77
Rot. Bonds5

About 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid (PubChem CID 43239752) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
PubChem CID43239752
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
SMILESCc1noc(C)c1CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)4-5-10(14)13(3)6-11(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyCUKZFGOKDSQWLV-UHFFFAOYSA-N
XLogP0.77
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 74247162
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 162631905
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
CID 78847324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-(2,3-dihydro-1H-inden-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 42885693
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
CID 61011467
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 78788550

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid (CID 43239752) is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid is Cc1noc(C)c1CCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid?
The InChIKey is CUKZFGOKDSQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)4-5-10(14)13(3)6-11(15)16/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid?
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 43239752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).