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

C10H16N2O3 — CID 61011467

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-4-12(6-10(13)14)5-9-7(2)11-15-8(9)3/h4-6H2,1-3H3,(H,13,14)
InChIKeyLOGHLPZIJDFZQD-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.20
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid (PubChem CID 61011467) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
PubChem CID61011467
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-4-12(6-10(13)14)5-9-7(2)11-15-8(9)3/h4-6H2,1-3H3,(H,13,14)
InChIKeyLOGHLPZIJDFZQD-UHFFFAOYSA-N
XLogP1.20
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 82329686
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid (CID 61011467) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid is CCN(CC(=O)O)Cc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid?
The InChIKey is LOGHLPZIJDFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-12(6-10(13)14)5-9-7(2)11-15-8(9)3/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid is sourced from PubChem (CID 61011467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).