2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid

C11H16N2O4 — CID 81361462

IUPAC2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1ncoc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)4-13(5-9(14)15)11(16)10-8(3)12-6-17-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyWNCDNIIQDRFYSW-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.17
Rot. Bonds5

About 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 81361462) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID81361462
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1ncoc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)4-13(5-9(14)15)11(16)10-8(3)12-6-17-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyWNCDNIIQDRFYSW-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyloxazole-5-carboxamide
CID 78581
5-Oxazolecarboxamide, N-acetyl-4-methyl-
CID 539390
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110197502
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
4-methyl-N-(3-methylpentan-3-yl)-1,3-oxazole-5-carboxamide
CID 72109842
(3R)-3,4,4-trimethyl-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinol
CID 72864668
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 71494638
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81621099
2-[(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81621251

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 81361462) is 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid is Cc1ncoc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is WNCDNIIQDRFYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)4-13(5-9(14)15)11(16)10-8(3)12-6-17-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 81361462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).