2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid

C12H19N3O4 — CID 107423686

IUPAC2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H19N3O4/c1-8-11(9(2)19-13-8)12(18)15(7-10(16)17)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17)
InChIKeyVVKKPFSKSDPPPA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.38
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid (PubChem CID 107423686) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
PubChem CID107423686
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H19N3O4/c1-8-11(9(2)19-13-8)12(18)15(7-10(16)17)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17)
InChIKeyVVKKPFSKSDPPPA-UHFFFAOYSA-N
XLogP0.38
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634600
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265074
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid (CID 107423686) is 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid is Cc1noc(C)c1C(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The InChIKey is VVKKPFSKSDPPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8-11(9(2)19-13-8)12(18)15(7-10(16)17)6-5-14(3)4/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 107423686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).