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

C11H14N2O4 — CID 81360931

IUPAC2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1ncoc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H14N2O4/c1-7-10(17-6-12-7)11(16)13(5-9(14)15)4-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyCBNDTNRGLZEJBG-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds5

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

2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid (PubChem CID 81360931) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
PubChem CID81360931
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1ncoc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H14N2O4/c1-7-10(17-6-12-7)11(16)13(5-9(14)15)4-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyCBNDTNRGLZEJBG-UHFFFAOYSA-N
XLogP0.92
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid (CID 81360931) is 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid is Cc1ncoc1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The InChIKey is CBNDTNRGLZEJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-10(17-6-12-7)11(16)13(5-9(14)15)4-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 81360931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).