(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid

C11H15N3O6 — CID 106389255

IUPAC(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
SMILESCc1cnc(C(C)NC(=O)N[C@H](CC(=O)O)C(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-5-4-12-9(20-5)6(2)13-11(19)14-7(10(17)18)3-8(15)16/h4,6-7H,3H2,1-2H3,(H,15,16)(H,17,18)(H2,13,14,19)/t6?,7-/m1/s1
InChIKeyAXOCWXOCJIELEB-COBSHVIPSA-N
MW285.26 g/mol
LogP0.27
Rot. Bonds6

About (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid

(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid (PubChem CID 106389255) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
PubChem CID106389255
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
SMILESCc1cnc(C(C)NC(=O)N[C@H](CC(=O)O)C(=O)O)o1
InChIInChI=1S/C11H15N3O6/c1-5-4-12-9(20-5)6(2)13-11(19)14-7(10(17)18)3-8(15)16/h4,6-7H,3H2,1-2H3,(H,15,16)(H,17,18)(H2,13,14,19)/t6?,7-/m1/s1
InChIKeyAXOCWXOCJIELEB-COBSHVIPSA-N
XLogP0.27
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 114182493
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid?
The IUPAC name of (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid (CID 106389255) is (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid.
What is the SMILES notation for (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid?
The canonical SMILES for (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid is Cc1cnc(C(C)NC(=O)N[C@H](CC(=O)O)C(=O)O)o1.
What is the InChIKey of (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid?
The InChIKey is AXOCWXOCJIELEB-COBSHVIPSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-5-4-12-9(20-5)6(2)13-11(19)14-7(10(17)18)3-8(15)16/h4,6-7H,3H2,1-2H3,(H,15,16)(H,17,18)(H2,13,14,19)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid?
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid has a molecular weight of 285.26 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid is sourced from PubChem (CID 106389255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).